3-bromo-2-hydrazinyl-4-methoxybenzoic acid

C8H9BrN2O3 — CID 175986035

IUPAC3-bromo-2-hydrazinyl-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NN)c1Br
InChIInChI=1S/C8H9BrN2O3/c1-14-5-3-2-4(8(12)13)7(11-10)6(5)9/h2-3,11H,10H2,1H3,(H,12,13)
InChIKeyKLESYWVOXPPKQF-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.44
Rot. Bonds3

About 3-bromo-2-hydrazinyl-4-methoxybenzoic acid

3-bromo-2-hydrazinyl-4-methoxybenzoic acid (PubChem CID 175986035) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 3-bromo-2-hydrazinyl-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-bromo-2-hydrazinyl-4-methoxybenzoic acid
PubChem CID175986035
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name3-bromo-2-hydrazinyl-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NN)c1Br
InChIInChI=1S/C8H9BrN2O3/c1-14-5-3-2-4(8(12)13)7(11-10)6(5)9/h2-3,11H,10H2,1H3,(H,12,13)
InChIKeyKLESYWVOXPPKQF-UHFFFAOYSA-N
XLogP1.44
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
1-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-(methylamino)ethanone
CID 84810199
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-amino-3-bromo-6-methoxybenzoic acid
CID 62378772

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydrazinyl-4-methoxybenzoic acid?
The IUPAC name of 3-bromo-2-hydrazinyl-4-methoxybenzoic acid (CID 175986035) is 3-bromo-2-hydrazinyl-4-methoxybenzoic acid.
What is the SMILES notation for 3-bromo-2-hydrazinyl-4-methoxybenzoic acid?
The canonical SMILES for 3-bromo-2-hydrazinyl-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NN)c1Br.
What is the InChIKey of 3-bromo-2-hydrazinyl-4-methoxybenzoic acid?
The InChIKey is KLESYWVOXPPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-14-5-3-2-4(8(12)13)7(11-10)6(5)9/h2-3,11H,10H2,1H3,(H,12,13).
What are the key properties of 3-bromo-2-hydrazinyl-4-methoxybenzoic acid?
3-bromo-2-hydrazinyl-4-methoxybenzoic acid has a molecular weight of 261.07 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydrazinyl-4-methoxybenzoic acid is sourced from PubChem (CID 175986035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).