3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide

C12H8Cl3FN4O — CID 107578975

IUPAC3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C12H8Cl3FN4O/c13-6-1-2-9(20-17)19-11(6)12(21)18-5-3-7(14)10(16)8(15)4-5/h1-4H,17H2,(H,18,21)(H,19,20)
InChIKeyPQYBSZYKOZVVPC-UHFFFAOYSA-N
MW349.58 g/mol
LogP3.72
Rot. Bonds3

About 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide (PubChem CID 107578975) has the molecular formula C12H8Cl3FN4O and a molecular weight of 349.58 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
PubChem CID107578975
Molecular FormulaC12H8Cl3FN4O
Molecular Weight349.58 g/mol
Exact Mass347.97
IUPAC Name3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C12H8Cl3FN4O/c13-6-1-2-9(20-17)19-11(6)12(21)18-5-3-7(14)10(16)8(15)4-5/h1-4H,17H2,(H,18,21)(H,19,20)
InChIKeyPQYBSZYKOZVVPC-UHFFFAOYSA-N
XLogP3.72
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.58
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808
3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62247567
3-chloro-N-(4-fluoro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62812279
3-chloro-6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237965
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107578968
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-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62173294
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587
3-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116788097
N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide
CID 107793936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide (CID 107578975) is 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is PQYBSZYKOZVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FN4O/c13-6-1-2-9(20-17)19-11(6)12(21)18-5-3-7(14)10(16)8(15)4-5/h1-4H,17H2,(H,18,21)(H,19,20).
What are the key properties of 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 349.58 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 107578975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).