2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine

C13H14ClN3O — CID 28846412

IUPAC2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncccc1N
InChIInChI=1S/C13H14ClN3O/c1-8-6-11(12(18-2)7-9(8)14)17-13-10(15)4-3-5-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyYMRBSEXOWCUCMW-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.38
Rot. Bonds3

About 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine

2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine (PubChem CID 28846412) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
PubChem CID28846412
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1ncccc1N
InChIInChI=1S/C13H14ClN3O/c1-8-6-11(12(18-2)7-9(8)14)17-13-10(15)4-3-5-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyYMRBSEXOWCUCMW-UHFFFAOYSA-N
XLogP3.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
CID 164754587
2-N-(5-chloro-2-methylphenyl)pyridine-2,3-diamine
CID 28846305
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
4-chloro-2-methoxy-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112649973
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine (CID 28846412) is 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine is COc1cc(Cl)c(C)cc1Nc1ncccc1N.
What is the InChIKey of 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine?
The InChIKey is YMRBSEXOWCUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-6-11(12(18-2)7-9(8)14)17-13-10(15)4-3-5-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine?
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine has a molecular weight of 263.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 28846412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).