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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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).