2-hydrazinyl-4-methoxybenzoic acid;hydrochloride

C8H11ClN2O3 — CID 119031799

IUPAC2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
SMILESCOc1ccc(C(=O)O)c(NN)c1.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-13-5-2-3-6(8(11)12)7(4-5)10-9;/h2-4,10H,9H2,1H3,(H,11,12);1H
InChIKeyJZPIXROEXISGLM-UHFFFAOYSA-N
MW218.64 g/mol
LogP1.10
Rot. Bonds3

About 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride

2-hydrazinyl-4-methoxybenzoic acid;hydrochloride (PubChem CID 119031799) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
PubChem CID119031799
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
SMILESCOc1ccc(C(=O)O)c(NN)c1.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-13-5-2-3-6(8(11)12)7(4-5)10-9;/h2-4,10H,9H2,1H3,(H,11,12);1H
InChIKeyJZPIXROEXISGLM-UHFFFAOYSA-N
XLogP1.10
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 51.10
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

4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybenzoic acid
CID 115411628
2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
(2,4-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619968
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methoxybenzoic acid
CID 115411559
4-methoxy-2-(3-methylpentan-2-ylamino)benzoic acid
CID 81304860
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride?
The IUPAC name of 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride (CID 119031799) is 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride?
The canonical SMILES for 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride is COc1ccc(C(=O)O)c(NN)c1.Cl.
What is the InChIKey of 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride?
The InChIKey is JZPIXROEXISGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.ClH/c1-13-5-2-3-6(8(11)12)7(4-5)10-9;/h2-4,10H,9H2,1H3,(H,11,12);1H.
What are the key properties of 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride?
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride has a molecular weight of 218.64 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methoxybenzoic acid;hydrochloride is sourced from PubChem (CID 119031799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).