2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile

C14H12FN3 — CID 932580

IUPAC2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H12FN3/c1-8-9(2)18-14(17)12(7-16)13(8)10-3-5-11(15)6-4-10/h3-6H,1-2H3,(H2,17,18)
InChIKeyADJFUPKTTUGJHE-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.96
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile

2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 932580) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
PubChem CID932580
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H12FN3/c1-8-9(2)18-14(17)12(7-16)13(8)10-3-5-11(15)6-4-10/h3-6H,1-2H3,(H2,17,18)
InChIKeyADJFUPKTTUGJHE-UHFFFAOYSA-N
XLogP2.96
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.96
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-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile (CID 932580) is 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ADJFUPKTTUGJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-8-9(2)18-14(17)12(7-16)13(8)10-3-5-11(15)6-4-10/h3-6H,1-2H3,(H2,17,18).
What are the key properties of 2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 241.27 g/mol, XLogP of 2.96, 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-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 932580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).