2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

C22H13FN4O — CID 10155872

IUPAC2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(F)nc2)c1=O
InChIInChI=1S/C22H13FN4O/c23-21-9-8-17(13-26-21)27-14-16(20-7-3-4-10-25-20)11-19(22(27)28)18-6-2-1-5-15(18)12-24/h1-11,13-14H
InChIKeyYDKPVJSTXZAHAV-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.97
Rot. Bonds3

About 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 10155872) has the molecular formula C22H13FN4O and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID10155872
Molecular FormulaC22H13FN4O
Molecular Weight368.37 g/mol
Exact Mass368.11
IUPAC Name2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(F)nc2)c1=O
InChIInChI=1S/C22H13FN4O/c23-21-9-8-17(13-26-21)27-14-16(20-7-3-4-10-25-20)11-19(22(27)28)18-6-2-1-5-15(18)12-24/h1-11,13-14H
InChIKeyYDKPVJSTXZAHAV-UHFFFAOYSA-N
XLogP3.97
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 9924495
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CID 11619076
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
N-Cyclohexyl-2-(2-methylphenyl)-2-[1-pyridin-2-YL-N-(pyridin-3-YL)formamido]acetamide
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[4-[N-pyridin-3-yl-4-(trifluoromethyl)anilino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 76324760
4-[2-Oxo-1-pyridin-3-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethyl]benzonitrile
CID 76317380
4-[2-Oxo-1-pyridin-3-yl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzonitrile
CID 76331988
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
2-Phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 695027
3-(2-Fluorophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 9902603
3-(2-Fluoro-3-pyridinyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 9902652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 10155872) is 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccc(F)nc2)c1=O.
What is the InChIKey of 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is YDKPVJSTXZAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O/c23-21-9-8-17(13-26-21)27-14-16(20-7-3-4-10-25-20)11-19(22(27)28)18-6-2-1-5-15(18)12-24/h1-11,13-14H.
What are the key properties of 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 368.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 10155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).