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

C13H10FN3 — CID 4632780

IUPAC2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(F)c2)c(C#N)c(N)n1
InChIInChI=1S/C13H10FN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17)
InChIKeyRPERVENIHBOGHU-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.65
Rot. Bonds1

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

2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 4632780) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
PubChem CID4632780
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccc(F)c2)c(C#N)c(N)n1
InChIInChI=1S/C13H10FN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17)
InChIKeyRPERVENIHBOGHU-UHFFFAOYSA-N
XLogP2.65
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile (CID 4632780) is 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile is Cc1cc(-c2cccc(F)c2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is RPERVENIHBOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-8-5-11(12(7-15)13(16)17-8)9-3-2-4-10(14)6-9/h2-6H,1H3,(H2,16,17).
What are the key properties of 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile?
2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 4632780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).