6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide

C13H12BrN3O2 — CID 106908833

IUPAC6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COc2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrN3O2/c14-9-3-1-5-11(7-9)19-8-10-4-2-6-12(16-10)13(18)17-15/h1-7H,8,15H2,(H,17,18)
InChIKeyRPCIFRUFXKNKKJ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.03
Rot. Bonds4

About 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide

6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide (PubChem CID 106908833) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
PubChem CID106908833
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(COc2cccc(Br)c2)n1
InChIInChI=1S/C13H12BrN3O2/c14-9-3-1-5-11(7-9)19-8-10-4-2-6-12(16-10)13(18)17-15/h1-7H,8,15H2,(H,17,18)
InChIKeyRPCIFRUFXKNKKJ-UHFFFAOYSA-N
XLogP2.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.03
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'}

Analyze 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methoxy]benzamide
CID 106908853
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
6-(pyridin-3-yloxymethyl)pyridine-2-carbohydrazide
CID 106908908
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
6-[(3-fluoro-4-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 107171067
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
6-[(4-bromo-2,5-dichlorophenoxy)methyl]pyridine-2-carbohydrazide
CID 107661620
4-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
6-[(2,4-difluorophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908806
6-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908889
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide (CID 106908833) is 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(COc2cccc(Br)c2)n1.
What is the InChIKey of 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide?
The InChIKey is RPCIFRUFXKNKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-9-3-1-5-11(7-9)19-8-10-4-2-6-12(16-10)13(18)17-15/h1-7H,8,15H2,(H,17,18).
What are the key properties of 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide?
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide has a molecular weight of 322.16 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106908833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).