6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine

C12H13ClN4 — CID 79822210

IUPAC6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine
SMILESCc1c(Cl)cccc1Nc1ccc(N)c(N)n1
InChIInChI=1S/C12H13ClN4/c1-7-8(13)3-2-4-10(7)16-11-6-5-9(14)12(15)17-11/h2-6H,14H2,1H3,(H3,15,16,17)
InChIKeyVODGKHACEVVZJO-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.95
Rot. Bonds2

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

6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine (PubChem CID 79822210) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine
PubChem CID79822210
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine
SMILESCc1c(Cl)cccc1Nc1ccc(N)c(N)n1
InChIInChI=1S/C12H13ClN4/c1-7-8(13)3-2-4-10(7)16-11-6-5-9(14)12(15)17-11/h2-6H,14H2,1H3,(H3,15,16,17)
InChIKeyVODGKHACEVVZJO-UHFFFAOYSA-N
XLogP2.95
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
6-N-(2,3-difluorophenyl)pyridine-2,3,6-triamine
CID 79827013
6-N-(3-chloro-2-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 80762738
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720917
5-amino-3-(3-chloro-2-methylanilino)-1-methyl-1,2,4-triazin-6-one
CID 1492850
N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
CID 5204152
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
N-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 119089748
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine (CID 79822210) is 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine is Cc1c(Cl)cccc1Nc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine?
The InChIKey is VODGKHACEVVZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-7-8(13)3-2-4-10(7)16-11-6-5-9(14)12(15)17-11/h2-6H,14H2,1H3,(H3,15,16,17).
What are the key properties of 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine?
6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine has a molecular weight of 248.72 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chloro-2-methylphenyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79822210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).