1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one

C7H5BrClF2NO2 — CID 178139435

IUPAC1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one
SMILESCOc1cc(=O)n(C(F)(F)Br)cc1Cl
InChIInChI=1S/C7H5BrClF2NO2/c1-14-5-2-6(13)12(3-4(5)9)7(8,10)11/h2-3H,1H3
InChIKeyVTACSPUBYJCMSS-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.41
Rot. Bonds2

About 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one

1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one (PubChem CID 178139435) has the molecular formula C7H5BrClF2NO2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one
PubChem CID178139435
Molecular FormulaC7H5BrClF2NO2
Molecular Weight288.48 g/mol
Exact Mass286.92
IUPAC Name1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one
SMILESCOc1cc(=O)n(C(F)(F)Br)cc1Cl
InChIInChI=1S/C7H5BrClF2NO2/c1-14-5-2-6(13)12(3-4(5)9)7(8,10)11/h2-3H,1H3
InChIKeyVTACSPUBYJCMSS-UHFFFAOYSA-N
XLogP2.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
CID 18345652
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 107622967
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
6-chloro-7-methoxyimidazo[1,2-a]pyridin-3-amine
CID 130065573
1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038014
3-chloro-1-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 34964059
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one?
The IUPAC name of 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one (CID 178139435) is 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one?
The canonical SMILES for 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one is COc1cc(=O)n(C(F)(F)Br)cc1Cl.
What is the InChIKey of 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one?
The InChIKey is VTACSPUBYJCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO2/c1-14-5-2-6(13)12(3-4(5)9)7(8,10)11/h2-3H,1H3.
What are the key properties of 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one?
1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one has a molecular weight of 288.48 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one is sourced from PubChem (CID 178139435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).