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

C13H11F2N3O2 — CID 82420817

IUPAC1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NN)cn1-c1c(F)cccc1F
InChIInChI=1S/C13H11F2N3O2/c1-7-5-11(19)8(13(20)17-16)6-18(7)12-9(14)3-2-4-10(12)15/h2-6H,16H2,1H3,(H,17,20)
InChIKeyPPDSCUVXBGIIDN-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.03
Rot. Bonds2

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

1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide (PubChem CID 82420817) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
PubChem CID82420817
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NN)cn1-c1c(F)cccc1F
InChIInChI=1S/C13H11F2N3O2/c1-7-5-11(19)8(13(20)17-16)6-18(7)12-9(14)3-2-4-10(12)15/h2-6H,16H2,1H3,(H,17,20)
InChIKeyPPDSCUVXBGIIDN-UHFFFAOYSA-N
XLogP1.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbonyl chloride
CID 82420815
1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420947
1-(2,6-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420790
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82419346
5-(chloromethyl)-1-(2,6-difluorophenyl)-2-methylpyridin-4-one
CID 82420804
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420875
6-methyl-1-(3-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 1489807
ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82419857
N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 166305087

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide (CID 82420817) is 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NN)cn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The InChIKey is PPDSCUVXBGIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-7-5-11(19)8(13(20)17-16)6-18(7)12-9(14)3-2-4-10(12)15/h2-6H,16H2,1H3,(H,17,20).
What are the key properties of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide has a molecular weight of 279.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 82420817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).