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

C19H13ClFN3 — CID 3367991

IUPAC2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3c(F)cccc3Cl)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H13ClFN3/c1-11-5-7-12(8-6-11)17-9-13(14(10-22)19(23)24-17)18-15(20)3-2-4-16(18)21/h2-9H,1H3,(H2,23,24)
InChIKeyRUCMSKOOZFNBIT-UHFFFAOYSA-N
MW337.79 g/mol
LogP4.97
Rot. Bonds2

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

2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 3367991) has the molecular formula C19H13ClFN3 and a molecular weight of 337.79 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID3367991
Molecular FormulaC19H13ClFN3
Molecular Weight337.79 g/mol
Exact Mass337.08
IUPAC Name2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3c(F)cccc3Cl)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H13ClFN3/c1-11-5-7-12(8-6-11)17-9-13(14(10-22)19(23)24-17)18-15(20)3-2-4-16(18)21/h2-9H,1H3,(H2,23,24)
InChIKeyRUCMSKOOZFNBIT-UHFFFAOYSA-N
XLogP4.97
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 3367991) is 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3c(F)cccc3Cl)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is RUCMSKOOZFNBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3/c1-11-5-7-12(8-6-11)17-9-13(14(10-22)19(23)24-17)18-15(20)3-2-4-16(18)21/h2-9H,1H3,(H2,23,24).
What are the key properties of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 337.79 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3367991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).