6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide

C15H13BrN4O — CID 106909478

IUPAC6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Cn2ccc3ccc(Br)cc32)n1
InChIInChI=1S/C15H13BrN4O/c16-11-5-4-10-6-7-20(14(10)8-11)9-12-2-1-3-13(18-12)15(21)19-17/h1-8H,9,17H2,(H,19,21)
InChIKeyZBBDUIROVOHZAF-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.45
Rot. Bonds3

About 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide

6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909478) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909478
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Cn2ccc3ccc(Br)cc32)n1
InChIInChI=1S/C15H13BrN4O/c16-11-5-4-10-6-7-20(14(10)8-11)9-12-2-1-3-13(18-12)15(21)19-17/h1-8H,9,17H2,(H,19,21)
InChIKeyZBBDUIROVOHZAF-UHFFFAOYSA-N
XLogP2.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909481
6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide
CID 106909570
1-[2-(6-bromoindol-1-yl)ethyl]triazole-4-carbohydrazide
CID 63578339
4-[(6-bromoindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62047233
6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
CID 68669781
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 150206903
2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 116621897
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
5-[(6-bromoindol-1-yl)methyl]oxolane-2-carbohydrazide
CID 63578508

Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide (CID 106909478) is 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(Cn2ccc3ccc(Br)cc32)n1.
What is the InChIKey of 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is ZBBDUIROVOHZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-11-5-4-10-6-7-20(14(10)8-11)9-12-2-1-3-13(18-12)15(21)19-17/h1-8H,9,17H2,(H,19,21).
What are the key properties of 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 345.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).