CAS 13534-98-0|4-Amino-3-bromopyridine|3-bromopyridin-4-amine|4-amino-3-bromopyridine|4-Amino-3-bromopyridine|3-溴-4-氨基吡啶|4-Amino-3-bromo-pyridine|3-Bromo-4-pyridinamine|3-Bromo-4-aminopyridine|...

General Information

Structure

Molecular Formula

C₅H₅BrN₂

Molecular Mass

173.0106

Exact Mass

171.96361017

Charge

InChI

InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)

InChIKey

DDQYSZWFFXOXER-UHFFFAOYSA-N

Canonic Smiles

Nc1ccncc1Br

Isomeric Smiles

c1c(c(ccn1)N)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.23998325

LogD (pH = 7.4)

0.45848006

Log P

0.69540006

Molar Refractivity

36.2243

Polarizability

13.465082

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Amino-3-bromopyridine4-Amino-3-bromopyridine3-溴-4-氨基吡啶4-Amino-3-bromo-pyridine3-Bromo-4-pyridinamine3-Bromo-4-aminopyridine3-Bromopyridin-4-amine3-溴-4-吡啶胺4-氨基-3-溴吡啶3-Bromo-4-aminopyridine3-Bromo-pyridin-4-ylamine3-bromopyridin-4-amine

IUPAC name

3-bromopyridin-4-amine

IUPAC Traditional name

4-amino-3-bromopyridine

Names and Identifiers

Registration numbers

MDL Number

MFCD02068297

CAS Number

13534-98-0

Beilstein Number

110183