5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile

C21H12FN3O2 — CID 102222596

IUPAC5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C21H12FN3O2/c22-14-5-6-19(26)16(8-14)21(27)13-7-12(9-23)20(25-10-13)17-11-24-18-4-2-1-3-15(17)18/h1-8,10-11,24,26H
InChIKeyGXJAWBQESXKZJV-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.18
Rot. Bonds3

About 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile

5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile (PubChem CID 102222596) has the molecular formula C21H12FN3O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile
PubChem CID102222596
Molecular FormulaC21H12FN3O2
Molecular Weight357.34 g/mol
Exact Mass357.09
IUPAC Name5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C21H12FN3O2/c22-14-5-6-19(26)16(8-14)21(27)13-7-12(9-23)20(25-10-13)17-11-24-18-4-2-1-3-15(17)18/h1-8,10-11,24,26H
InChIKeyGXJAWBQESXKZJV-UHFFFAOYSA-N
XLogP4.18
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile
CID 102222603
2-amino-5-(2-hydroxybenzoyl)pyridine-3-carbonitrile
CID 14714980
2-(1H-indol-3-yl)-1,7-naphthyridine-3-carbonitrile
CID 166453739
4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
CID 15425105
5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
CID 146879070
5-(5-chloro-2-hydroxybenzoyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2537858
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 101432469
4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
(5-fluoro-2-hydroxyphenyl)-(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 17487725
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
4-(5-fluoro-2-hydroxybenzoyl)benzamide
CID 142582973
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile (CID 102222596) is 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(F)ccc2O)cnc1-c1c[nH]c2ccccc12.
What is the InChIKey of 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile?
The InChIKey is GXJAWBQESXKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3O2/c22-14-5-6-19(26)16(8-14)21(27)13-7-12(9-23)20(25-10-13)17-11-24-18-4-2-1-3-15(17)18/h1-8,10-11,24,26H.
What are the key properties of 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile?
5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile has a molecular weight of 357.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 102222596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).