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

C12H12ClN3 — CID 139370044

IUPAC3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine
SMILESCc1cccc(-c2ccc(N)nc2N)c1Cl
InChIInChI=1S/C12H12ClN3/c1-7-3-2-4-8(11(7)13)9-5-6-10(14)16-12(9)15/h2-6H,1H3,(H4,14,15,16)
InChIKeyMYDHDSMLOYDJCQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.87
Rot. Bonds1

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

3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine (PubChem CID 139370044) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine
PubChem CID139370044
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine
SMILESCc1cccc(-c2ccc(N)nc2N)c1Cl
InChIInChI=1S/C12H12ClN3/c1-7-3-2-4-8(11(7)13)9-5-6-10(14)16-12(9)15/h2-6H,1H3,(H4,14,15,16)
InChIKeyMYDHDSMLOYDJCQ-UHFFFAOYSA-N
XLogP2.87
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-3-methylphenyl)pyridine-2,6-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

2-(2-chloro-3-methylphenyl)-5-methylaniline
CID 171393531
5-(2,3-dichlorophenyl)-6-ethylpyridin-2-amine
CID 139370092
3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride
CID 139370357
3-(2-propan-2-ylphenyl)pyridine-2,6-diamine;hydrochloride
CID 156692790
5-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 69068854
3-(2,5-dichlorophenyl)pyridine-2,6-diamine
CID 66637020
3-(1,3-benzothiazol-4-yl)pyridine-2,6-diamine
CID 155778547
3-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine;hydrochloride
CID 156692785
6-chloropyridin-2-amine;ethane
CID 143370846
3-(2-cyclopropylphenyl)pyridine-2,6-diamine
CID 139370145
3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
CID 139369576
[5-(2-chloro-3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943836

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine (CID 139370044) is 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine is Cc1cccc(-c2ccc(N)nc2N)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine?
The InChIKey is MYDHDSMLOYDJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-3-2-4-8(11(7)13)9-5-6-10(14)16-12(9)15/h2-6H,1H3,(H4,14,15,16).
What are the key properties of 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine?
3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine has a molecular weight of 233.70 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 139370044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).