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

C13H11F2N3O2 — CID 82420947

IUPAC1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NN)cn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2N3O2/c1-7-4-12(19)9(13(20)17-16)6-18(7)8-2-3-10(14)11(15)5-8/h2-6H,16H2,1H3,(H,17,20)
InChIKeyONBMXLGDSHTIPP-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.03
Rot. Bonds2

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

1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide (PubChem CID 82420947) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
PubChem CID82420947
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NN)cn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2N3O2/c1-7-4-12(19)9(13(20)17-16)6-18(7)8-2-3-10(14)11(15)5-8/h2-6H,16H2,1H3,(H,17,20)
InChIKeyONBMXLGDSHTIPP-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide (CID 82420947) is 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NN)cn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The InChIKey is ONBMXLGDSHTIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-7-4-12(19)9(13(20)17-16)6-18(7)8-2-3-10(14)11(15)5-8/h2-6H,16H2,1H3,(H,17,20).
What are the key properties of 1-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
1-(3,4-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-(3,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 82420947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).