6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide

C15H13BrN4O — CID 106909481

IUPAC6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Cn2cc(Br)c3ccccc32)n1
InChIInChI=1S/C15H13BrN4O/c16-12-9-20(14-7-2-1-5-11(12)14)8-10-4-3-6-13(18-10)15(21)19-17/h1-7,9H,8,17H2,(H,19,21)
InChIKeyPWALHJVOEMSAFT-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.45
Rot. Bonds3

About 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide

6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909481) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909481
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(Cn2cc(Br)c3ccccc32)n1
InChIInChI=1S/C15H13BrN4O/c16-12-9-20(14-7-2-1-5-11(12)14)8-10-4-3-6-13(18-10)15(21)19-17/h1-7,9H,8,17H2,(H,19,21)
InChIKeyPWALHJVOEMSAFT-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-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909478
6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide
CID 106909570
1-[(6-bromo-2-pyridinyl)methyl]-N-(methoxymethyl)-4-oxoquinoline-3-carboxamide
CID 87187921
4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577602
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
CID 106908998
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
CID 106909365
6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909083
6-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909097
1-(3-bromoindol-1-yl)-3,3-dimethylbutan-2-one
CID 55119966
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide (CID 106909481) is 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(Cn2cc(Br)c3ccccc32)n1.
What is the InChIKey of 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is PWALHJVOEMSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-12-9-20(14-7-2-1-5-11(12)14)8-10-4-3-6-13(18-10)15(21)19-17/h1-7,9H,8,17H2,(H,19,21).
What are the key properties of 6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide?
6-[(3-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-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).