8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acid|8-fluoro-2-methyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridine-10-carboxylic acid|8-fluoro-2-methyl-1H,3H,4H-benzo[b]1,6-na...

General Information

Structure

Molecular Formula

C₁₄H₁₃FN₂O₂

Molecular Mass

260.2636232

Exact Mass

260.09610589

Charge

InChI

InChI=1S/C14H13FN2O2/c1-17-5-4-12-10(7-17)13(14(18)19)9-6-8(15)2-3-11(9)16-12/h2-3,6H,4-5,7H2,1H3,(H,18,19)

InChIKey

CQRSMJYJOGBLGO-UHFFFAOYSA-N

Canonic Smiles

CN1Cc2c(C(=O)O)c3cc(F)ccc3nc2CC1

Isomeric Smiles

c12c(c3c(nc1CCN(C2)C)ccc(c3)F)C(=O)O

Calculated Properties

JChem

Acid pKa

3.0978487

H Acceptors

H Donor

LogD (pH = 5.5)

-0.6862052

LogD (pH = 7.4)

-1.2169625

Log P

-0.67523813

Molar Refractivity

68.7264

Polarizability

27.01161

Polar Surface Area

53.43

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

IUPAC name

8-fluoro-2-methyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridine-10-carboxylic acid

IUPAC Traditional name

8-fluoro-2-methyl-1H,3H,4H-benzo[b]1,6-naphthyridine-10-carboxylic acid

Names and Identifiers

Registration numbers

PubChem CID

18072478

PubChem SID

162219221

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:124868