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

C16H11FN2O3 — CID 2414364

IUPAC1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn(C2CC2)c1=O
InChIInChI=1S/C16H11FN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2
InChIKeySIJZAEXRXMJTII-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.13
Rot. Bonds3

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

1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2414364) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID2414364
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn(C2CC2)c1=O
InChIInChI=1S/C16H11FN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2
InChIKeySIJZAEXRXMJTII-UHFFFAOYSA-N
XLogP2.13
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-fluoro-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 2110169
N,1-dicyclohexyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 2379333
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
5-(5-Bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
CID 3000211
5-(5-Fluoro-2-hydroxybenzoyl)-1,2-dihydro-1-methyl-2-oxo-3-pyridinecarbonitrile
CID 2113961
5-(2-Hydroxybenzoyl)-2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2393667
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 3984843
5-(2-Hydroxy-5-methylbenzoyl)-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 4300326
1-Hexyl-5-(2-hydroxybenzoyl)pyridin-2(1H)-one (28)
CID 74983123
5-(2-Hydroxybenzoyl)-1-isopropylpyridin-2(1H)-one (29)
CID 74983124
1-Cyclohexyl-5-(2-hydroxybenzoyl)pyridin-2(1H)-one (30)
CID 74983125

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile (CID 2414364) is 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is SIJZAEXRXMJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2.
What are the key properties of 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 298.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2414364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).