2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile

C13H10ClN3 — CID 743778

IUPAC2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
InChIInChI=1S/C13H10ClN3/c1-8-6-11(12(7-15)13(16)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H2,16,17)
InChIKeyOIADGIDTZVRINS-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.16
Rot. Bonds1

About 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile

2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 743778) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile
PubChem CID743778
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
InChIInChI=1S/C13H10ClN3/c1-8-6-11(12(7-15)13(16)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H2,16,17)
InChIKeyOIADGIDTZVRINS-UHFFFAOYSA-N
XLogP3.16
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile (CID 743778) is 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile is Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is OIADGIDTZVRINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-6-11(12(7-15)13(16)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H2,16,17).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile?
2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 243.70 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 743778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).