4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine

C12H12ClN3 — CID 29066314

IUPAC4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
SMILESCc1ccc(Nc2ccncc2N)cc1Cl
InChIInChI=1S/C12H12ClN3/c1-8-2-3-9(6-10(8)13)16-12-4-5-15-7-11(12)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyWMZGNYNELYTZSI-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.37
Rot. Bonds2

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

4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine (PubChem CID 29066314) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
PubChem CID29066314
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
SMILESCc1ccc(Nc2ccncc2N)cc1Cl
InChIInChI=1S/C12H12ClN3/c1-8-2-3-9(6-10(8)13)16-12-4-5-15-7-11(12)14/h2-7H,14H2,1H3,(H,15,16)
InChIKeyWMZGNYNELYTZSI-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-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-(3-ethyl-4-methylphenyl)pyridine-3,4-diamine
CID 114250635
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43436245
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
4-(3-chloro-4-methylphenyl)pyridin-3-amine
CID 83166863
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine (CID 29066314) is 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine is Cc1ccc(Nc2ccncc2N)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine?
The InChIKey is WMZGNYNELYTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-2-3-9(6-10(8)13)16-12-4-5-15-7-11(12)14/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine?
4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine has a molecular weight of 233.70 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 29066314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).