2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile

C20H15ClFN3 — CID 3498060

IUPAC2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)c(C#N)c(N)n2)cc1C
InChIInChI=1S/C20H15ClFN3/c1-11-3-4-14(7-12(11)2)19-9-15(16(10-23)20(24)25-19)13-5-6-17(21)18(22)8-13/h3-9H,1-2H3,(H2,24,25)
InChIKeyYBHURODWKWYKTC-UHFFFAOYSA-N
MW351.81 g/mol
LogP5.28
Rot. Bonds2

About 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile

2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile (PubChem CID 3498060) has the molecular formula C20H15ClFN3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
PubChem CID3498060
Molecular FormulaC20H15ClFN3
Molecular Weight351.81 g/mol
Exact Mass351.09
IUPAC Name2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)c(C#N)c(N)n2)cc1C
InChIInChI=1S/C20H15ClFN3/c1-11-3-4-14(7-12(11)2)19-9-15(16(10-23)20(24)25-19)13-5-6-17(21)18(22)8-13/h3-9H,1-2H3,(H2,24,25)
InChIKeyYBHURODWKWYKTC-UHFFFAOYSA-N
XLogP5.28
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.81
LogP ≤ 55.28
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-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile (CID 3498060) is 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)c(C#N)c(N)n2)cc1C.
What is the InChIKey of 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is YBHURODWKWYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3/c1-11-3-4-14(7-12(11)2)19-9-15(16(10-23)20(24)25-19)13-5-6-17(21)18(22)8-13/h3-9H,1-2H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 351.81 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3498060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).