N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide

C13H13FN4O — CID 62242371

IUPACN-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(NN)ccn2)c1
InChIInChI=1S/C13H13FN4O/c1-8-2-3-10(14)11(6-8)17-13(19)12-7-9(18-15)4-5-16-12/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXQQFXMZQYQBZBP-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.07
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide

N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide (PubChem CID 62242371) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
PubChem CID62242371
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(NN)ccn2)c1
InChIInChI=1S/C13H13FN4O/c1-8-2-3-10(14)11(6-8)17-13(19)12-7-9(18-15)4-5-16-12/h2-7H,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXQQFXMZQYQBZBP-UHFFFAOYSA-N
XLogP2.07
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide (CID 62242371) is N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(NN)ccn2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
The InChIKey is XQQFXMZQYQBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-2-3-10(14)11(6-8)17-13(19)12-7-9(18-15)4-5-16-12/h2-7H,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide?
N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62242371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).