6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine

C13H14ClN3 — CID 113316893

IUPAC6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
SMILESCc1cccc(N(C)c2nc(Cl)ccc2N)c1
InChIInChI=1S/C13H14ClN3/c1-9-4-3-5-10(8-9)17(2)13-11(15)6-7-12(14)16-13/h3-8H,15H2,1-2H3
InChIKeyKDEQBILJXDMBNW-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.39
Rot. Bonds2

About 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine

6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine (PubChem CID 113316893) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
PubChem CID113316893
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
SMILESCc1cccc(N(C)c2nc(Cl)ccc2N)c1
InChIInChI=1S/C13H14ClN3/c1-9-4-3-5-10(8-9)17(2)13-11(15)6-7-12(14)16-13/h3-8H,15H2,1-2H3
InChIKeyKDEQBILJXDMBNW-UHFFFAOYSA-N
XLogP3.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-methyl-2-N-(3-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

4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
4-chloro-N-methyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 83156832
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951
6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80935558
5-(chloromethyl)-N,3-dimethyl-N-(3-methylphenyl)pyridin-2-amine
CID 80628236
2-N-methyl-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 150772863
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine
CID 134187432

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine (CID 113316893) is 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine is Cc1cccc(N(C)c2nc(Cl)ccc2N)c1.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine?
The InChIKey is KDEQBILJXDMBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-4-3-5-10(8-9)17(2)13-11(15)6-7-12(14)16-13/h3-8H,15H2,1-2H3.
What are the key properties of 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine?
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine has a molecular weight of 247.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 113316893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).