N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide

C13H12FN3O2 — CID 135221145

IUPACN-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide
SMILESCn1c(C(=O)N(N)c2ccc(F)cc2)cccc1=O
InChIInChI=1S/C13H12FN3O2/c1-16-11(3-2-4-12(16)18)13(19)17(15)10-7-5-9(14)6-8-10/h2-8H,15H2,1H3
InChIKeyAGXZWCIMWQAXLD-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.04
Rot. Bonds2

About N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide

N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide (PubChem CID 135221145) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide
PubChem CID135221145
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide
SMILESCn1c(C(=O)N(N)c2ccc(F)cc2)cccc1=O
InChIInChI=1S/C13H12FN3O2/c1-16-11(3-2-4-12(16)18)13(19)17(15)10-7-5-9(14)6-8-10/h2-8H,15H2,1H3
InChIKeyAGXZWCIMWQAXLD-UHFFFAOYSA-N
XLogP1.04
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
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 N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide (CID 135221145) is N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide is Cn1c(C(=O)N(N)c2ccc(F)cc2)cccc1=O.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide?
The InChIKey is AGXZWCIMWQAXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-16-11(3-2-4-12(16)18)13(19)17(15)10-7-5-9(14)6-8-10/h2-8H,15H2,1H3.
What are the key properties of N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide?
N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide has a molecular weight of 261.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-6-oxopyridine-2-carbohydrazide is sourced from PubChem (CID 135221145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).