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

C12H8BrCl3N4O — CID 107793936

IUPACN-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C12H8BrCl3N4O/c13-5-1-3-7(10(16)9(5)15)18-12(21)11-6(14)2-4-8(19-11)20-17/h1-4H,17H2,(H,18,21)(H,19,20)
InChIKeyVKFCGIKJDBSLPF-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.34
Rot. Bonds3

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

N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide (PubChem CID 107793936) has the molecular formula C12H8BrCl3N4O and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide
PubChem CID107793936
Molecular FormulaC12H8BrCl3N4O
Molecular Weight410.49 g/mol
Exact Mass407.89
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C12H8BrCl3N4O/c13-5-1-3-7(10(16)9(5)15)18-12(21)11-6(14)2-4-8(19-11)20-17/h1-4H,17H2,(H,18,21)(H,19,20)
InChIKeyVKFCGIKJDBSLPF-UHFFFAOYSA-N
XLogP4.34
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.34
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-6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237965
3-chloro-N-(3,4-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587
3-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578975
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
3-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-2-carboxamide
CID 116788097
3-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62247567
3-chloro-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227438
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793511
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
3-chloro-N-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide (CID 107793936) is N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)Nc2ccc(Br)c(Cl)c2Cl)n1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is VKFCGIKJDBSLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3N4O/c13-5-1-3-7(10(16)9(5)15)18-12(21)11-6(14)2-4-8(19-11)20-17/h1-4H,17H2,(H,18,21)(H,19,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3-chloro-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 107793936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).