CAS 19798-80-2|CAS 19798-80-2 202216-99-7(HCLSalt)|2-Amino-4-chloropyridine|4-Chloropyridin-2-amine|4-chloropyridin-2-amine|4-chloropyridin-2-amine|4-chloropyridin-2-amine|2-氨基-4-氯吡啶|4-Chloro-2...

General Information

Structure

Molecular Formula

C₅H₅ClN₂

Molecular Mass

128.5596

Exact Mass

128.01412585

Charge

InChI

InChI=1S/C5H5ClN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)

InChIKey

RQMWVVBHJMUJNZ-UHFFFAOYSA-N

Canonic Smiles

Clc1ccnc(c1)N

Isomeric Smiles

c1cnc(cc1Cl)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.74654984

LogD (pH = 7.4)

1.1172503

Log P

1.1251496

Molar Refractivity

33.7198

Polarizability

12.461441

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Chloropyridin-2-amine2-Amino-4-chloropyridine4-chloropyridin-2-amine4-氯-2-吡啶胺2-氨基-4-氯吡啶4-Chloro-2-pyridinamine2-Amino-4-chloropyridine4-Chloro-pyridin-2-ylaminel (4-Chloropyridin-2-yl)amine4-Chloro-2-aminopyridine2-amino-4-chloro-pyridine

IUPAC name

4-chloropyridin-2-amine

IUPAC Traditional name

4-chloropyridin-2-amine

Names and Identifiers

Registration numbers

CAS Number

19798-80-219798-80-2 202216-99-7(HCLSalt)

MDL Number

MFCD04113820

PubChem CID

581866