N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide

C15H10BrN3O3 — CID 39706116

IUPACN'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cccc(Br)c2o1)c1ccccn1
InChIInChI=1S/C15H10BrN3O3/c16-10-5-3-4-9-8-12(22-13(9)10)15(21)19-18-14(20)11-6-1-2-7-17-11/h1-8H,(H,18,20)(H,19,21)
InChIKeyRZQJJOSEUIVTBL-UHFFFAOYSA-N
MW360.17 g/mol
LogP2.67
Rot. Bonds2

About N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide

N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide (PubChem CID 39706116) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
PubChem CID39706116
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC NameN'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2cccc(Br)c2o1)c1ccccn1
InChIInChI=1S/C15H10BrN3O3/c16-10-5-3-4-9-8-12(22-13(9)10)15(21)19-18-14(20)11-6-1-2-7-17-11/h1-8H,(H,18,20)(H,19,21)
InChIKeyRZQJJOSEUIVTBL-UHFFFAOYSA-N
XLogP2.67
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 46450886
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-(7-bromo-1-benzofuran-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 39704610
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
N'-(4,5-dibromothiophene-2-carbonyl)pyridine-2-carbohydrazide
CID 9330718
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55692957
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075

Frequently Asked Questions

What is the IUPAC name of N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide (CID 39706116) is N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide is O=C(NNC(=O)c1cc2cccc(Br)c2o1)c1ccccn1.
What is the InChIKey of N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide?
The InChIKey is RZQJJOSEUIVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-10-5-3-4-9-8-12(22-13(9)10)15(21)19-18-14(20)11-6-1-2-7-17-11/h1-8H,(H,18,20)(H,19,21).
What are the key properties of N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide?
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide has a molecular weight of 360.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 39706116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).