N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide

C13H11ClFN3O2 — CID 118039643

IUPACN'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1=O
InChIInChI=1S/C13H11ClFN3O2/c1-18-7-8(2-5-12(18)19)13(20)17-16-9-3-4-10(14)11(15)6-9/h2-7,16H,1H3,(H,17,20)
InChIKeyOBUYDDDMTHNYOP-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.93
Rot. Bonds3

About N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide

N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide (PubChem CID 118039643) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
PubChem CID118039643
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC NameN'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
SMILESCn1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1=O
InChIInChI=1S/C13H11ClFN3O2/c1-18-7-8(2-5-12(18)19)13(20)17-16-9-3-4-10(14)11(15)6-9/h2-7,16H,1H3,(H,17,20)
InChIKeyOBUYDDDMTHNYOP-UHFFFAOYSA-N
XLogP1.93
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
CID 118039703
1-(3-chlorophenyl)-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide
CID 118039631
1-methyl-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 110693057
N-[(4S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[3.2.0]heptanyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 138626920
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693119
4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 82832923
2,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47067429
2,4-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725053

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide (CID 118039643) is N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide is Cn1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1=O.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
The InChIKey is OBUYDDDMTHNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-18-7-8(2-5-12(18)19)13(20)17-16-9-3-4-10(14)11(15)6-9/h2-7,16H,1H3,(H,17,20).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide?
N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide has a molecular weight of 295.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 118039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).