2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine

C12H12ClN3 — CID 79020853

IUPAC2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3/c1-8-2-7-11(14)12(15-8)16-10-5-3-9(13)4-6-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeySCPDJQQPPRQMDF-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.37
Rot. Bonds2

About 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine

2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine (PubChem CID 79020853) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
PubChem CID79020853
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3/c1-8-2-7-11(14)12(15-8)16-10-5-3-9(13)4-6-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeySCPDJQQPPRQMDF-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine (CID 79020853) is 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine?
The InChIKey is SCPDJQQPPRQMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-2-7-11(14)12(15-8)16-10-5-3-9(13)4-6-10/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine?
2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine has a molecular weight of 233.70 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 79020853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).