2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile

C13H6ClFN4 — CID 168655005

IUPAC2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Cl)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C13H6ClFN4/c14-12-9(5-16)11(10(6-17)13(18)19-12)7-1-3-8(15)4-2-7/h1-4H,(H2,18,19)
InChIKeyQVDFSGAFWRMGDO-UHFFFAOYSA-N
MW272.67 g/mol
LogP2.87
Rot. Bonds1

About 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile

2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile (PubChem CID 168655005) has the molecular formula C13H6ClFN4 and a molecular weight of 272.67 g/mol. Its IUPAC name is 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile
PubChem CID168655005
Molecular FormulaC13H6ClFN4
Molecular Weight272.67 g/mol
Exact Mass272.03
IUPAC Name2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Cl)c(C#N)c1-c1ccc(F)cc1
InChIInChI=1S/C13H6ClFN4/c14-12-9(5-16)11(10(6-17)13(18)19-12)7-1-3-8(15)4-2-7/h1-4H,(H2,18,19)
InChIKeyQVDFSGAFWRMGDO-UHFFFAOYSA-N
XLogP2.87
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-chloropyridine-3,5-dicarbonitrile
CID 295901
2-Amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile
CID 606000
2-Amino-4-(4-chlorophenyl)-6-(methylthio)pyridine-3,5-dicarbonitrile
CID 661167
2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
CID 711464
Pyridinitril
CID 14146
2-Amino-4-(2-chlorophenyl)-6-cyclopropylnicotinonitrile
CID 622734
2-Amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile
CID 916396
2-Amino-5,6-dimethyl-4-phenylnicotinonitrile
CID 650363
2-Amino-4-(2-chlorophenyl)-6-(methylsulfanyl)pyridine-3,5-dicarbonitrile
CID 659242
2-Amino-4-(4-chlorophenyl)-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
CID 672442
2-Amino-6-cyclopropyl-4-(4-fluorophenyl)nicotinonitrile
CID 686655
2-Amino-6-ethyl-4-(4-fluorophenyl)-5-methylnicotinonitrile
CID 4639012

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile (CID 168655005) is 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is QVDFSGAFWRMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClFN4/c14-12-9(5-16)11(10(6-17)13(18)19-12)7-1-3-8(15)4-2-7/h1-4H,(H2,18,19).
What are the key properties of 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 272.67 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-(4-fluorophenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 168655005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).