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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Related Compounds

2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
2-Amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)nicotinonitrile
CID 856297
2-Amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 856325
2-Amino-6-(4-hydroxy-phenyl)-4-(2-methoxy-phenyl)-nicotinonitrile
CID 856314
2-Amino-6-(4-amino-phenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-nicotinonitrile
CID 648499
2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-propyl-nicotinonitrile
CID 650901
2-Amino-6-ethyl-4-(4-hydroxy-3-methoxy-phenyl)-5-methyl-nicotinonitrile
CID 651982
2-Amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyridine-3-carbonitrile
CID 652507
2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-8-methyl-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 655954
2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-ethyl-5-methyl-nicotinonitrile
CID 655992
2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-6-phenylnicotinonitrile
CID 791098
2-Amino-4-(3,4-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 792592

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).