3-bromonaphthalene-2-carbohydrazide

C11H9BrN2O — CID 131563746

IUPAC3-bromonaphthalene-2-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2cc1Br
InChIInChI=1S/C11H9BrN2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyDWOBRZAMBWUTHK-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.21
Rot. Bonds1

About 3-bromonaphthalene-2-carbohydrazide

3-bromonaphthalene-2-carbohydrazide (PubChem CID 131563746) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-bromonaphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-bromonaphthalene-2-carbohydrazide
PubChem CID131563746
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name3-bromonaphthalene-2-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2cc1Br
InChIInChI=1S/C11H9BrN2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(15)14-13/h1-6H,13H2,(H,14,15)
InChIKeyDWOBRZAMBWUTHK-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
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2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
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3-amino-N-(2-bromophenyl)naphthalene-2-carboxamide
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ethane;naphthalene-2-carbohydrazide
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5-bromonaphthalene-1-carbohydrazide
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4,6-dibenzoylbenzene-1,3-dicarbohydrazide
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CID 70080980
CID 70080980
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
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CID 3119117

Frequently Asked Questions

What is the IUPAC name of 3-bromonaphthalene-2-carbohydrazide?
The IUPAC name of 3-bromonaphthalene-2-carbohydrazide (CID 131563746) is 3-bromonaphthalene-2-carbohydrazide.
What is the SMILES notation for 3-bromonaphthalene-2-carbohydrazide?
The canonical SMILES for 3-bromonaphthalene-2-carbohydrazide is NNC(=O)c1cc2ccccc2cc1Br.
What is the InChIKey of 3-bromonaphthalene-2-carbohydrazide?
The InChIKey is DWOBRZAMBWUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(15)14-13/h1-6H,13H2,(H,14,15).
What are the key properties of 3-bromonaphthalene-2-carbohydrazide?
3-bromonaphthalene-2-carbohydrazide has a molecular weight of 265.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromonaphthalene-2-carbohydrazide is sourced from PubChem (CID 131563746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).