3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide

C14H14BrN3O2 — CID 102774440

IUPAC3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
SMILESCc1ncccc1OCc1ccc(C(=O)NN)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-9-13(3-2-6-17-9)20-8-11-5-4-10(7-12(11)15)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyAMDBFTNDGOSAIM-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.34
Rot. Bonds4

About 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide

3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide (PubChem CID 102774440) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
PubChem CID102774440
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
SMILESCc1ncccc1OCc1ccc(C(=O)NN)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-9-13(3-2-6-17-9)20-8-11-5-4-10(7-12(11)15)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyAMDBFTNDGOSAIM-UHFFFAOYSA-N
XLogP2.34
TPSA77.24 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 ≤ 52.34
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

3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
3-bromo-4-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 102774285
3-bromo-4-(phenoxymethyl)benzohydrazide
CID 102774318
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-bromo-4-[(4-bromophenyl)methoxymethyl]benzohydrazide
CID 102774450
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
CID 102774451
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
CID 102774824
3-amino-4-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 82999807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide (CID 102774440) is 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide is Cc1ncccc1OCc1ccc(C(=O)NN)cc1Br.
What is the InChIKey of 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide?
The InChIKey is AMDBFTNDGOSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9-13(3-2-6-17-9)20-8-11-5-4-10(7-12(11)15)14(19)18-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide?
3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide has a molecular weight of 336.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide is sourced from PubChem (CID 102774440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).