2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide

C14H14BrN3O2 — CID 105352152

IUPAC2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2cc(Br)ccc2=O)cc1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-6-14(20)18(9-12)8-11-3-1-10(2-4-11)7-13(19)17-16/h1-6,9H,7-8,16H2,(H,17,19)
InChIKeyKNWLXTMXXTVECI-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide

2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide (PubChem CID 105352152) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
PubChem CID105352152
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2cc(Br)ccc2=O)cc1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-6-14(20)18(9-12)8-11-3-1-10(2-4-11)7-13(19)17-16/h1-6,9H,7-8,16H2,(H,17,19)
InChIKeyKNWLXTMXXTVECI-UHFFFAOYSA-N
XLogP1.19
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide (CID 105352152) is 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(Cn2cc(Br)ccc2=O)cc1.
What is the InChIKey of 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
The InChIKey is KNWLXTMXXTVECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-12-5-6-14(20)18(9-12)8-11-3-1-10(2-4-11)7-13(19)17-16/h1-6,9H,7-8,16H2,(H,17,19).
What are the key properties of 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide?
2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide has a molecular weight of 336.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).