2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid

C15H16N2O2 — CID 163528026

IUPAC2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
SMILESCc1cccc(NNc2ccccc2C(=O)O)c1C
InChIInChI=1S/C15H16N2O2/c1-10-6-5-9-13(11(10)2)16-17-14-8-4-3-7-12(14)15(18)19/h3-9,16-17H,1-2H3,(H,18,19)
InChIKeyDQMIBHUMHNIJKO-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.44
Rot. Bonds4

About 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid

2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid (PubChem CID 163528026) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
PubChem CID163528026
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid
SMILESCc1cccc(NNc2ccccc2C(=O)O)c1C
InChIInChI=1S/C15H16N2O2/c1-10-6-5-9-13(11(10)2)16-17-14-8-4-3-7-12(14)15(18)19/h3-9,16-17H,1-2H3,(H,18,19)
InChIKeyDQMIBHUMHNIJKO-UHFFFAOYSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.44
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

CID 10739949
CID 10739949
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
bis(2-(2,3-dimethylanilino)benzoic acid);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139205083
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid
CID 90769809
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid (CID 163528026) is 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid is Cc1cccc(NNc2ccccc2C(=O)O)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid?
The InChIKey is DQMIBHUMHNIJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-5-9-13(11(10)2)16-17-14-8-4-3-7-12(14)15(18)19/h3-9,16-17H,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid?
2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylphenyl)hydrazinyl]benzoic acid is sourced from PubChem (CID 163528026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).