N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide

C12H10BrClN4O — CID 103481467

IUPACN-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(C(=O)Nc2cccc(Cl)c2Br)nc1
InChIInChI=1S/C12H10BrClN4O/c13-11-8(14)2-1-3-9(11)17-12(19)10-5-4-7(18-15)6-16-10/h1-6,18H,15H2,(H,17,19)
InChIKeyNZJYHXGHBHVDMB-UHFFFAOYSA-N
MW341.60 g/mol
LogP3.04
Rot. Bonds3

About N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide

N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide (PubChem CID 103481467) has the molecular formula C12H10BrClN4O and a molecular weight of 341.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
PubChem CID103481467
Molecular FormulaC12H10BrClN4O
Molecular Weight341.60 g/mol
Exact Mass339.97
IUPAC NameN-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(C(=O)Nc2cccc(Cl)c2Br)nc1
InChIInChI=1S/C12H10BrClN4O/c13-11-8(14)2-1-3-9(11)17-12(19)10-5-4-7(18-15)6-16-10/h1-6,18H,15H2,(H,17,19)
InChIKeyNZJYHXGHBHVDMB-UHFFFAOYSA-N
XLogP3.04
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide (CID 103481467) is N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide is NNc1ccc(C(=O)Nc2cccc(Cl)c2Br)nc1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is NZJYHXGHBHVDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O/c13-11-8(14)2-1-3-9(11)17-12(19)10-5-4-7(18-15)6-16-10/h1-6,18H,15H2,(H,17,19).
What are the key properties of N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide?
N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide has a molecular weight of 341.60 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 103481467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).