5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile

C10H11FN2O — CID 86684898

IUPAC5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C(C)C)c1F
InChIInChI=1S/C10H11FN2O/c1-5(2)8-7(4-12)10(14)13-6(3)9(8)11/h5H,1-3H3,(H,13,14)
InChIKeyRJIHRJSODASDOX-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.82
Rot. Bonds1

About 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile

5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 86684898) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
PubChem CID86684898
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C(C)C)c1F
InChIInChI=1S/C10H11FN2O/c1-5(2)8-7(4-12)10(14)13-6(3)9(8)11/h5H,1-3H3,(H,13,14)
InChIKeyRJIHRJSODASDOX-UHFFFAOYSA-N
XLogP1.82
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
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1-Ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CID 658812
2-Hydroxy-4,5,6-trimethylnicotinonitrile
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1-Isobutyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CID 660169
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10583113
4,6-dimethyl-2-oxo-5-prop-2-enyl-1H-pyridine-3-carbonitrile
CID 2728467
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 590532
5-Ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10241109
5,6-Dimethyl-2-oxo-1,2-dihydro-3,4-pyridinedicarbonitrile
CID 13468039

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile (CID 86684898) is 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C(C)C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is RJIHRJSODASDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-5(2)8-7(4-12)10(14)13-6(3)9(8)11/h5H,1-3H3,(H,13,14).
What are the key properties of 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile?
5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 194.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 86684898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).