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

C20H15ClFN3 — CID 4636733

IUPAC2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H15ClFN3/c1-2-12-3-5-13(6-4-12)19-10-15(16(11-23)20(24)25-19)14-7-8-17(21)18(22)9-14/h3-10H,2H2,1H3,(H2,24,25)
InChIKeyDAOMAKRLRVXYDM-UHFFFAOYSA-N
MW351.81 g/mol
LogP5.22
Rot. Bonds3

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

2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile (PubChem CID 4636733) 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-(4-ethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
PubChem CID4636733
Molecular FormulaC20H15ClFN3
Molecular Weight351.81 g/mol
Exact Mass351.09
IUPAC Name2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H15ClFN3/c1-2-12-3-5-13(6-4-12)19-10-15(16(11-23)20(24)25-19)14-7-8-17(21)18(22)9-14/h3-10H,2H2,1H3,(H2,24,25)
InChIKeyDAOMAKRLRVXYDM-UHFFFAOYSA-N
XLogP5.22
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.81
LogP ≤ 55.22
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-(4-ethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile (CID 4636733) is 2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile is CCc1ccc(-c2cc(-c3ccc(Cl)c(F)c3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
The InChIKey is DAOMAKRLRVXYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3/c1-2-12-3-5-13(6-4-12)19-10-15(16(11-23)20(24)25-19)14-7-8-17(21)18(22)9-14/h3-10H,2H2,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile has a molecular weight of 351.81 g/mol, XLogP of 5.22, 3 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-(4-ethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4636733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).