ethane;3-hydrazinylbenzoic acid

C9H14N2O2 — CID 142968377

IUPACethane;3-hydrazinylbenzoic acid
SMILESCC.NNc1cccc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2.C2H6/c8-9-6-3-1-2-5(4-6)7(10)11;1-2/h1-4,9H,8H2,(H,10,11);1-2H3
InChIKeyWQYBYVFJDHYQDT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.70
Rot. Bonds2

About ethane;3-hydrazinylbenzoic acid

ethane;3-hydrazinylbenzoic acid (PubChem CID 142968377) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethane;3-hydrazinylbenzoic acid.

Molecular Properties

Compound Nameethane;3-hydrazinylbenzoic acid
PubChem CID142968377
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethane;3-hydrazinylbenzoic acid
SMILESCC.NNc1cccc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2.C2H6/c8-9-6-3-1-2-5(4-6)7(10)11;1-2/h1-4,9H,8H2,(H,10,11);1-2H3
InChIKeyWQYBYVFJDHYQDT-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydrazinylbenzamide;hydrochloride
CID 90487444
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
methyl 3-hydrazinylbenzoate;hydrochloride
CID 23285088
3-bromobenzoic acid;ethane
CID 143530590
3-[(3-methoxy-3-methylbutan-2-yl)amino]benzoic acid
CID 175811829
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-carbamoylbenzoic acid
CID 3014284
1-carboxy-3-(diazonioamino)benzene
CID 56608787
3-(trifluoromethylamino)benzoic acid;hydrofluoride
CID 70504722
3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]benzoic acid
CID 102823266

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydrazinylbenzoic acid?
The IUPAC name of ethane;3-hydrazinylbenzoic acid (CID 142968377) is ethane;3-hydrazinylbenzoic acid.
What is the SMILES notation for ethane;3-hydrazinylbenzoic acid?
The canonical SMILES for ethane;3-hydrazinylbenzoic acid is CC.NNc1cccc(C(=O)O)c1.
What is the InChIKey of ethane;3-hydrazinylbenzoic acid?
The InChIKey is WQYBYVFJDHYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H6/c8-9-6-3-1-2-5(4-6)7(10)11;1-2/h1-4,9H,8H2,(H,10,11);1-2H3.
What are the key properties of ethane;3-hydrazinylbenzoic acid?
ethane;3-hydrazinylbenzoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydrazinylbenzoic acid is sourced from PubChem (CID 142968377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).