2-N-(2-methylphenyl)pyridine-2,3-diamine

C12H13N3 — CID 13143782

IUPAC2-N-(2-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccccc1Nc1ncccc1N
InChIInChI=1S/C12H13N3/c1-9-5-2-3-7-11(9)15-12-10(13)6-4-8-14-12/h2-8H,13H2,1H3,(H,14,15)
InChIKeyYJQSPBXISDHBAX-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.72
Rot. Bonds2

About 2-N-(2-methylphenyl)pyridine-2,3-diamine

2-N-(2-methylphenyl)pyridine-2,3-diamine (PubChem CID 13143782) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)pyridine-2,3-diamine
PubChem CID13143782
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-N-(2-methylphenyl)pyridine-2,3-diamine
SMILESCc1ccccc1Nc1ncccc1N
InChIInChI=1S/C12H13N3/c1-9-5-2-3-7-11(9)15-12-10(13)6-4-8-14-12/h2-8H,13H2,1H3,(H,14,15)
InChIKeyYJQSPBXISDHBAX-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2-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

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(2-methylphenyl)pyridine-2,3-diamine (CID 13143782) is 2-N-(2-methylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)pyridine-2,3-diamine is Cc1ccccc1Nc1ncccc1N.
What is the InChIKey of 2-N-(2-methylphenyl)pyridine-2,3-diamine?
The InChIKey is YJQSPBXISDHBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-5-2-3-7-11(9)15-12-10(13)6-4-8-14-12/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 2-N-(2-methylphenyl)pyridine-2,3-diamine?
2-N-(2-methylphenyl)pyridine-2,3-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 13143782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).