5-bromo-1H-indole-3-carbohydrazide

C9H8BrN3O — CID 156904296

IUPAC5-bromo-1H-indole-3-carbohydrazide
SMILESNNC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H8BrN3O/c10-5-1-2-8-6(3-5)7(4-12-8)9(14)13-11/h1-4,12H,11H2,(H,13,14)
InChIKeyNDOLJZRFWNONJQ-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.53
Rot. Bonds1

About 5-bromo-1H-indole-3-carbohydrazide

5-bromo-1H-indole-3-carbohydrazide (PubChem CID 156904296) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 5-bromo-1H-indole-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-1H-indole-3-carbohydrazide
PubChem CID156904296
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name5-bromo-1H-indole-3-carbohydrazide
SMILESNNC(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C9H8BrN3O/c10-5-1-2-8-6(3-5)7(4-12-8)9(14)13-11/h1-4,12H,11H2,(H,13,14)
InChIKeyNDOLJZRFWNONJQ-UHFFFAOYSA-N
XLogP1.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.53
H-Bond Donors ≤ 53
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

5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
6-bromo-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172682995
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
(2S)-2-[(5-bromo-1H-indole-3-carbonyl)amino]-4-methylpentanoic acid
CID 154742327
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
5-(5-bromo-1H-indol-3-yl)-5-oxopentanoic acid
CID 43329853
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole-3-carbohydrazide?
The IUPAC name of 5-bromo-1H-indole-3-carbohydrazide (CID 156904296) is 5-bromo-1H-indole-3-carbohydrazide.
What is the SMILES notation for 5-bromo-1H-indole-3-carbohydrazide?
The canonical SMILES for 5-bromo-1H-indole-3-carbohydrazide is NNC(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1H-indole-3-carbohydrazide?
The InChIKey is NDOLJZRFWNONJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-5-1-2-8-6(3-5)7(4-12-8)9(14)13-11/h1-4,12H,11H2,(H,13,14).
What are the key properties of 5-bromo-1H-indole-3-carbohydrazide?
5-bromo-1H-indole-3-carbohydrazide has a molecular weight of 254.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole-3-carbohydrazide is sourced from PubChem (CID 156904296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).