2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine

C12H11BrClN3 — CID 81262191

IUPAC2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
SMILESCc1ccnc(Nc2ccc(Cl)cc2Br)c1N
InChIInChI=1S/C12H11BrClN3/c1-7-4-5-16-12(11(7)15)17-10-3-2-8(14)6-9(10)13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyWFZRUCSWKWRWJD-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.13
Rot. Bonds2

About 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine

2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine (PubChem CID 81262191) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
PubChem CID81262191
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
SMILESCc1ccnc(Nc2ccc(Cl)cc2Br)c1N
InChIInChI=1S/C12H11BrClN3/c1-7-4-5-16-12(11(7)15)17-10-3-2-8(14)6-9(10)13/h2-6H,15H2,1H3,(H,16,17)
InChIKeyWFZRUCSWKWRWJD-UHFFFAOYSA-N
XLogP4.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
CID 113445735
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
CID 83265167
ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
CID 81280660
4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 81256059
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
6-N-(5-chloro-2-methylphenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545099
N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
CID 116649026

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine (CID 81262191) is 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine is Cc1ccnc(Nc2ccc(Cl)cc2Br)c1N.
What is the InChIKey of 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine?
The InChIKey is WFZRUCSWKWRWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-4-5-16-12(11(7)15)17-10-3-2-8(14)6-9(10)13/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine?
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine has a molecular weight of 312.60 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 81262191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).