N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide

C13H12ClFN4O — CID 107531327

IUPACN-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Cl)cc(NN)n1
InChIInChI=1S/C13H12ClFN4O/c1-7-4-8(5-12(17-7)19-16)13(20)18-11-6-9(15)2-3-10(11)14/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyZDFKWZMVRFNXDF-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.72
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide

N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide (PubChem CID 107531327) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
PubChem CID107531327
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Cl)cc(NN)n1
InChIInChI=1S/C13H12ClFN4O/c1-7-4-8(5-12(17-7)19-16)13(20)18-11-6-9(15)2-3-10(11)14/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyZDFKWZMVRFNXDF-UHFFFAOYSA-N
XLogP2.72
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.72
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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Related Compounds

2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
N-(4-chlorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 113379184
2-hydrazinyl-6-methyl-N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 107643225
N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107530898
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 107531322
N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
2-chloro-N-(4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 55052514
N-(5-fluoro-2-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62249406
N-(2-chloro-5-fluorophenyl)-2-hydrazinylbenzamide
CID 107531326
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide (CID 107531327) is N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(F)ccc2Cl)cc(NN)n1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
The InChIKey is ZDFKWZMVRFNXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-7-4-8(5-12(17-7)19-16)13(20)18-11-6-9(15)2-3-10(11)14/h2-6H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide?
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 107531327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).