3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one

C12H10F2N2O — CID 143806454

IUPAC3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one
SMILESCc1ccc(Nc2cc[nH]c(=O)c2F)c(F)c1
InChIInChI=1S/C12H10F2N2O/c1-7-2-3-9(8(13)6-7)16-10-4-5-15-12(17)11(10)14/h2-6H,1H3,(H2,15,16,17)
InChIKeyQOOWJUDJDVTVGH-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.71
Rot. Bonds2

About 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one

3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one (PubChem CID 143806454) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one
PubChem CID143806454
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one
SMILESCc1ccc(Nc2cc[nH]c(=O)c2F)c(F)c1
InChIInChI=1S/C12H10F2N2O/c1-7-2-3-9(8(13)6-7)16-10-4-5-15-12(17)11(10)14/h2-6H,1H3,(H2,15,16,17)
InChIKeyQOOWJUDJDVTVGH-UHFFFAOYSA-N
XLogP2.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 112708250
N-(4-bromo-2-nitrophenyl)-2-fluoro-4-methylaniline
CID 63462666
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
tert-butyl N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622100
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
2-(2-fluoro-4-methylanilino)-4-(3-methylphenyl)-1H-pyrimidin-6-one
CID 136741245
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one (CID 143806454) is 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one is Cc1ccc(Nc2cc[nH]c(=O)c2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one?
The InChIKey is QOOWJUDJDVTVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-7-2-3-9(8(13)6-7)16-10-4-5-15-12(17)11(10)14/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one?
3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one has a molecular weight of 236.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-fluoro-4-methylanilino)-1H-pyridin-2-one is sourced from PubChem (CID 143806454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).