1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride

C13H8ClF2NO2 — CID 82420815

IUPAC1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
SMILESCc1cc(=O)c(C(=O)Cl)cn1-c1c(F)cccc1F
InChIInChI=1S/C13H8ClF2NO2/c1-7-5-11(18)8(13(14)19)6-17(7)12-9(15)3-2-4-10(12)16/h2-6H,1H3
InChIKeyIJCRNHKKGLHANC-UHFFFAOYSA-N
MW283.66 g/mol
LogP2.80
Rot. Bonds2

About 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride

1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride (PubChem CID 82420815) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
PubChem CID82420815
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
SMILESCc1cc(=O)c(C(=O)Cl)cn1-c1c(F)cccc1F
InChIInChI=1S/C13H8ClF2NO2/c1-7-5-11(18)8(13(14)19)6-17(7)12-9(15)3-2-4-10(12)16/h2-6H,1H3
InChIKeyIJCRNHKKGLHANC-UHFFFAOYSA-N
XLogP2.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420817
5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
CID 82420804
1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420947
5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420875
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82419346
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82421024
2-fluorobenzoyl chloride
CID 9808

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
The IUPAC name of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride (CID 82420815) is 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride.
What is the SMILES notation for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
The canonical SMILES for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride is Cc1cc(=O)c(C(=O)Cl)cn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
The InChIKey is IJCRNHKKGLHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c1-7-5-11(18)8(13(14)19)6-17(7)12-9(15)3-2-4-10(12)16/h2-6H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride?
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride has a molecular weight of 283.66 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride is sourced from PubChem (CID 82420815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).