3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide

C13H12ClFN4O — CID 62812279

IUPAC3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2nc(NN)ccc2Cl)ccc1F
InChIInChI=1S/C13H12ClFN4O/c1-7-6-8(2-4-10(7)15)17-13(20)12-9(14)3-5-11(18-12)19-16/h2-6H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyPCYUKKJGMNBJKN-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.72
Rot. Bonds3

About 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62812279) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
PubChem CID62812279
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2nc(NN)ccc2Cl)ccc1F
InChIInChI=1S/C13H12ClFN4O/c1-7-6-8(2-4-10(7)15)17-13(20)12-9(14)3-5-11(18-12)19-16/h2-6H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyPCYUKKJGMNBJKN-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

3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62247567
3-chloro-N-(3,4-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808
3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578975
3-chloro-6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237965
3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
CID 115379438
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587
3-chloro-N-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417
3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62169174
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
3-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62173294
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide (CID 62812279) is 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide is Cc1cc(NC(=O)c2nc(NN)ccc2Cl)ccc1F.
What is the InChIKey of 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is PCYUKKJGMNBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c1-7-6-8(2-4-10(7)15)17-13(20)12-9(14)3-5-11(18-12)19-16/h2-6H,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-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 3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62812279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).