3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide

C12H9ClF2N4O — CID 62247567

IUPAC3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H9ClF2N4O/c13-7-2-4-10(19-16)18-11(7)12(20)17-6-1-3-8(14)9(15)5-6/h1-5H,16H2,(H,17,20)(H,18,19)
InChIKeySEMDKKWJHBAPRF-UHFFFAOYSA-N
MW298.68 g/mol
LogP2.55
Rot. Bonds3

About 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62247567) has the molecular formula C12H9ClF2N4O and a molecular weight of 298.68 g/mol. Its IUPAC name is 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
PubChem CID62247567
Molecular FormulaC12H9ClF2N4O
Molecular Weight298.68 g/mol
Exact Mass298.04
IUPAC Name3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H9ClF2N4O/c13-7-2-4-10(19-16)18-11(7)12(20)17-6-1-3-8(14)9(15)5-6/h1-5H,16H2,(H,17,20)(H,18,19)
InChIKeySEMDKKWJHBAPRF-UHFFFAOYSA-N
XLogP2.55
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 52.55
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-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62812279
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-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417
3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62169174
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyrazine-2-carboxamide
CID 114036263
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
3-chloro-N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62173294
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide (CID 62247567) is 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is SEMDKKWJHBAPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N4O/c13-7-2-4-10(19-16)18-11(7)12(20)17-6-1-3-8(14)9(15)5-6/h1-5H,16H2,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 298.68 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62247567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).