2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride

C9H13ClN2O4 — CID 170985236

IUPAC2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
SMILESCOc1cc(NN)c(C(=O)O)cc1OC.Cl
InChIInChI=1S/C9H12N2O4.ClH/c1-14-7-3-5(9(12)13)6(11-10)4-8(7)15-2;/h3-4,11H,10H2,1-2H3,(H,12,13);1H
InChIKeyITMGSMSAJZVCDX-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.11
Rot. Bonds4

About 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride

2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride (PubChem CID 170985236) has the molecular formula C9H13ClN2O4 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
PubChem CID170985236
Molecular FormulaC9H13ClN2O4
Molecular Weight248.67 g/mol
Exact Mass248.06
IUPAC Name2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
SMILESCOc1cc(NN)c(C(=O)O)cc1OC.Cl
InChIInChI=1S/C9H12N2O4.ClH/c1-14-7-3-5(9(12)13)6(11-10)4-8(7)15-2;/h3-4,11H,10H2,1-2H3,(H,12,13);1H
InChIKeyITMGSMSAJZVCDX-UHFFFAOYSA-N
XLogP1.11
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
ethane;2-(ethylamino)-4,5-dimethoxybenzoic acid
CID 142222360
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
2-carboxy-4,5-dimethoxyphenolate
CID 86306376
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
2-(4-aminobutanoylamino)-4,5-dimethoxybenzoic acid
CID 61157131
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
2-(dimethylaminocarbamoylamino)-4,5-dimethoxybenzoic acid
CID 83018527
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
2-(heptylamino)-4,5-dimethoxybenzoic acid
CID 82096479
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
4,5-difluoro-2-hydrazinylbenzoic acid
CID 83235980

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride?
The IUPAC name of 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride (CID 170985236) is 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride?
The canonical SMILES for 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride is COc1cc(NN)c(C(=O)O)cc1OC.Cl.
What is the InChIKey of 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride?
The InChIKey is ITMGSMSAJZVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4.ClH/c1-14-7-3-5(9(12)13)6(11-10)4-8(7)15-2;/h3-4,11H,10H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride?
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride has a molecular weight of 248.67 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride is sourced from PubChem (CID 170985236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).