5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile

C14H9FN2O3 — CID 2113961

IUPAC5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C14H9FN2O3/c1-17-7-9(4-8(6-16)14(17)20)13(19)11-5-10(15)2-3-12(11)18/h2-5,7,18H,1H3
InChIKeySGTSCHIAZHARNC-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.33
Rot. Bonds2

About 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile

5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 2113961) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID2113961
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O
InChIInChI=1S/C14H9FN2O3/c1-17-7-9(4-8(6-16)14(17)20)13(19)11-5-10(15)2-3-12(11)18/h2-5,7,18H,1H3
InChIKeySGTSCHIAZHARNC-UHFFFAOYSA-N
XLogP1.33
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Diethylamino)-1-(2-hydroxyphenyl)-2-propen-1-one
CID 688259
(2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5715945
5-(5-fluoro-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 2110169
5-(5-Bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile
CID 2368269
1-Benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2414366
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 2467573
1-[4-(5-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]-ethanone
CID 13076386
1-Benzyl-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 2368280
5-(2-Hydroxybenzoyl)-2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2393667
1-Cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2414364
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 3984843
(2E)-3-(dimethylamino)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 5713860

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 2113961) is 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is SGTSCHIAZHARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c1-17-7-9(4-8(6-16)14(17)20)13(19)11-5-10(15)2-3-12(11)18/h2-5,7,18H,1H3.
What are the key properties of 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile?
5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 272.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-hydroxybenzoyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2113961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).