6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide

C13H13BrN4O2 — CID 106909570

IUPAC6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide
SMILESCc1cc(Br)cn(Cc2cccc(C(=O)NN)n2)c1=O
InChIInChI=1S/C13H13BrN4O2/c1-8-5-9(14)6-18(13(8)20)7-10-3-2-4-11(16-10)12(19)17-15/h2-6H,7,15H2,1H3,(H,17,19)
InChIKeyGMTZBRDUIBAIRV-UHFFFAOYSA-N
MW337.18 g/mol
LogP0.97
Rot. Bonds3

About 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide

6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909570) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide
PubChem CID106909570
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide
SMILESCc1cc(Br)cn(Cc2cccc(C(=O)NN)n2)c1=O
InChIInChI=1S/C13H13BrN4O2/c1-8-5-9(14)6-18(13(8)20)7-10-3-2-4-11(16-10)12(19)17-15/h2-6H,7,15H2,1H3,(H,17,19)
InChIKeyGMTZBRDUIBAIRV-UHFFFAOYSA-N
XLogP0.97
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one
CID 83133392
6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909478
6-[(3-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909481
6-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909437
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
1-[(2-amino-4-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130605
hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
CID 83133573
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
5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83133898

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide (CID 106909570) is 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide is Cc1cc(Br)cn(Cc2cccc(C(=O)NN)n2)c1=O.
What is the InChIKey of 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide?
The InChIKey is GMTZBRDUIBAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-8-5-9(14)6-18(13(8)20)7-10-3-2-4-11(16-10)12(19)17-15/h2-6H,7,15H2,1H3,(H,17,19).
What are the key properties of 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide?
6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide has a molecular weight of 337.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).