2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid

C14H13BrN2O2 — CID 169387165

IUPAC2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid
SMILESO=C(O)c1c(Br)cccc1CNNc1ccccc1
InChIInChI=1S/C14H13BrN2O2/c15-12-8-4-5-10(13(12)14(18)19)9-16-17-11-6-2-1-3-7-11/h1-8,16-17H,9H2,(H,18,19)
InChIKeyVTCWWDBSNACHTF-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.26
Rot. Bonds5

About 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid

2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid (PubChem CID 169387165) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid
PubChem CID169387165
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid
SMILESO=C(O)c1c(Br)cccc1CNNc1ccccc1
InChIInChI=1S/C14H13BrN2O2/c15-12-8-4-5-10(13(12)14(18)19)9-16-17-11-6-2-1-3-7-11/h1-8,16-17H,9H2,(H,18,19)
InChIKeyVTCWWDBSNACHTF-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387158
1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
2-bromo-6-(3-bromopropyl)benzoic acid
CID 134619321
1-[(4-bromo-2,3-dichlorophenyl)methyl]-2-phenylhydrazine
CID 169385494
2-[(2-phenylhydrazinyl)methyl]benzenesulfonic acid
CID 169384301
1-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387110
1-[(2,3-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384408
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
2-bromo-6-(methylamino)benzoic acid
CID 114887837
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
1-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 15532440

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid?
The IUPAC name of 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid (CID 169387165) is 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid.
What is the SMILES notation for 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid?
The canonical SMILES for 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid is O=C(O)c1c(Br)cccc1CNNc1ccccc1.
What is the InChIKey of 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid?
The InChIKey is VTCWWDBSNACHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-8-4-5-10(13(12)14(18)19)9-16-17-11-6-2-1-3-7-11/h1-8,16-17H,9H2,(H,18,19).
What are the key properties of 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid?
2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid has a molecular weight of 321.17 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid is sourced from PubChem (CID 169387165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).