N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide

C16H12BrN3O3 — CID 7677963

IUPACN'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccncc2)oc2ccc(Br)cc12
InChIInChI=1S/C16H12BrN3O3/c1-9-12-8-11(17)2-3-13(12)23-14(9)16(22)20-19-15(21)10-4-6-18-7-5-10/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyUHQLSMWHWCAZIW-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.97
Rot. Bonds2

About N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide

N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide (PubChem CID 7677963) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
PubChem CID7677963
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccncc2)oc2ccc(Br)cc12
InChIInChI=1S/C16H12BrN3O3/c1-9-12-8-11(17)2-3-13(12)23-14(9)16(22)20-19-15(21)10-4-6-18-7-5-10/h2-8H,1H3,(H,19,21)(H,20,22)
InChIKeyUHQLSMWHWCAZIW-UHFFFAOYSA-N
XLogP2.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide (CID 7677963) is N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccncc2)oc2ccc(Br)cc12.
What is the InChIKey of N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is UHQLSMWHWCAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-9-12-8-11(17)2-3-13(12)23-14(9)16(22)20-19-15(21)10-4-6-18-7-5-10/h2-8H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 374.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 7677963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).