5-bromopyridine-3-carbohydrazide

C6H6BrN3O — CID 696365

IUPAC5-bromopyridine-3-carbohydrazide
SMILESNNC(=O)c1cncc(Br)c1
InChIInChI=1S/C6H6BrN3O/c7-5-1-4(2-9-3-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKeyVERXTAUONOFMLH-UHFFFAOYSA-N
MW216.04 g/mol
LogP0.45
Rot. Bonds1

About 5-bromopyridine-3-carbohydrazide

5-bromopyridine-3-carbohydrazide (PubChem CID 696365) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is 5-bromopyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromopyridine-3-carbohydrazide
PubChem CID696365
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name5-bromopyridine-3-carbohydrazide
SMILESNNC(=O)c1cncc(Br)c1
InChIInChI=1S/C6H6BrN3O/c7-5-1-4(2-9-3-5)6(11)10-8/h1-3H,8H2,(H,10,11)
InChIKeyVERXTAUONOFMLH-UHFFFAOYSA-N
XLogP0.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nicotinamide
CID 936
5-Bromonicotinamide
CID 1808
Nicotinic acid, hydrazide
CID 11112
5-Bromo-3-pyridinecarboxaldehyde
CID 2784734
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-Piperidin-1-yl-nicotinamide
CID 787224
5-Fluoronicotinamide
CID 101264
N-[(E)-1-(4-bromophenyl)ethylideneamino]pyridine-3-carboxamide
CID 5751334
5-Hex-1-ynylpyridine-3-carbohydrazide
CID 2736515
5-Methylnicotinamide
CID 65560
2-Bromoisonicotinohydrazide
CID 468605
2-Methylpyridine-3-carbohydrazide
CID 45084299

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-3-carbohydrazide?
The IUPAC name of 5-bromopyridine-3-carbohydrazide (CID 696365) is 5-bromopyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromopyridine-3-carbohydrazide?
The canonical SMILES for 5-bromopyridine-3-carbohydrazide is NNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromopyridine-3-carbohydrazide?
The InChIKey is VERXTAUONOFMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-5-1-4(2-9-3-5)6(11)10-8/h1-3H,8H2,(H,10,11).
What are the key properties of 5-bromopyridine-3-carbohydrazide?
5-bromopyridine-3-carbohydrazide has a molecular weight of 216.04 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-3-carbohydrazide is sourced from PubChem (CID 696365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).