N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

C12H8BrClF2N4O — CID 107616840

IUPACN-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)Nc2cc(F)c(Br)cc2F)cc(Cl)n1
InChIInChI=1S/C12H8BrClF2N4O/c13-6-3-8(16)9(4-7(6)15)18-12(21)5-1-10(14)19-11(2-5)20-17/h1-4H,17H2,(H,18,21)(H,19,20)
InChIKeyAFBCJLHSZWOWDS-UHFFFAOYSA-N
MW377.58 g/mol
LogP3.31
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (PubChem CID 107616840) has the molecular formula C12H8BrClF2N4O and a molecular weight of 377.58 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
PubChem CID107616840
Molecular FormulaC12H8BrClF2N4O
Molecular Weight377.58 g/mol
Exact Mass375.95
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESNNc1cc(C(=O)Nc2cc(F)c(Br)cc2F)cc(Cl)n1
InChIInChI=1S/C12H8BrClF2N4O/c13-6-3-8(16)9(4-7(6)15)18-12(21)5-1-10(14)19-11(2-5)20-17/h1-4H,17H2,(H,18,21)(H,19,20)
InChIKeyAFBCJLHSZWOWDS-UHFFFAOYSA-N
XLogP3.31
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62247770
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107616833
2-chloro-N-(4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 55052514
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266
N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107801433
3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
CID 102852308
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
2-chloro-N-(2,3-dimethylphenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62241615
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (CID 107616840) is N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is NNc1cc(C(=O)Nc2cc(F)c(Br)cc2F)cc(Cl)n1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is AFBCJLHSZWOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N4O/c13-6-3-8(16)9(4-7(6)15)18-12(21)5-1-10(14)19-11(2-5)20-17/h1-4H,17H2,(H,18,21)(H,19,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 377.58 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 107616840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).