2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile

C24H16FN3O2 — CID 134824342

IUPAC2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Oc3ccccc3)c(O)c2)cc(-c2ccccc2F)nc1N
InChIInChI=1S/C24H16FN3O2/c25-20-9-5-4-8-17(20)21-13-18(19(14-26)24(27)28-21)15-10-11-23(22(29)12-15)30-16-6-2-1-3-7-16/h1-13,29H,(H2,27,28)
InChIKeyNSBKPYCOXQZWJQ-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.51
Rot. Bonds4

About 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile (PubChem CID 134824342) has the molecular formula C24H16FN3O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile
PubChem CID134824342
Molecular FormulaC24H16FN3O2
Molecular Weight397.41 g/mol
Exact Mass397.12
IUPAC Name2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Oc3ccccc3)c(O)c2)cc(-c2ccccc2F)nc1N
InChIInChI=1S/C24H16FN3O2/c25-20-9-5-4-8-17(20)21-13-18(19(14-26)24(27)28-21)15-10-11-23(22(29)12-15)30-16-6-2-1-3-7-16/h1-13,29H,(H2,27,28)
InChIKeyNSBKPYCOXQZWJQ-UHFFFAOYSA-N
XLogP5.51
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile (CID 134824342) is 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Oc3ccccc3)c(O)c2)cc(-c2ccccc2F)nc1N.
What is the InChIKey of 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is NSBKPYCOXQZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2/c25-20-9-5-4-8-17(20)21-13-18(19(14-26)24(27)28-21)15-10-11-23(22(29)12-15)30-16-6-2-1-3-7-16/h1-13,29H,(H2,27,28).
What are the key properties of 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 397.41 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134824342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).