4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid

C8H10N2O4 — CID 176970330

IUPAC4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NNO
InChIInChI=1S/C8H10N2O4/c1-14-7-4-5(8(11)12)2-3-6(7)9-10-13/h2-4,9-10,13H,1H3,(H,11,12)
InChIKeyDYDWSOQRCPYPHL-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.70
Rot. Bonds4

About 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid

4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid (PubChem CID 176970330) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid
PubChem CID176970330
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NNO
InChIInChI=1S/C8H10N2O4/c1-14-7-4-5(8(11)12)2-3-6(7)9-10-13/h2-4,9-10,13H,1H3,(H,11,12)
InChIKeyDYDWSOQRCPYPHL-UHFFFAOYSA-N
XLogP0.70
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-carboxy-2-methoxyanilino)sulfanylamino]-3-methoxybenzoic acid
CID 167476178
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
(4-carboxy-2-methoxyanilino)-dihydroxy-methylazanium
CID 176970364
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid
CID 167188995
3-methoxy-4-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168606277
4-[[7-(4-carboxy-2-methoxyanilino)sulfanylnaphthalen-2-yl]sulfanylamino]-3-methoxybenzoic acid
CID 167476539
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-[(6,6-dimethyl-5-oxoheptanoyl)amino]-3-methoxybenzoic acid
CID 166390559

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid (CID 176970330) is 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1NNO.
What is the InChIKey of 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid?
The InChIKey is DYDWSOQRCPYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-7-4-5(8(11)12)2-3-6(7)9-10-13/h2-4,9-10,13H,1H3,(H,11,12).
What are the key properties of 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid?
4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid is sourced from PubChem (CID 176970330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).