4-methoxy-3-pyrazin-2-yloxybenzoic acid

C12H10N2O4 — CID 79732439

IUPAC4-methoxy-3-pyrazin-2-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1cnccn1
InChIInChI=1S/C12H10N2O4/c1-17-9-3-2-8(12(15)16)6-10(9)18-11-7-13-4-5-14-11/h2-7H,1H3,(H,15,16)
InChIKeyIRGJRFNYUMFLOD-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.98
Rot. Bonds4

About 4-methoxy-3-pyrazin-2-yloxybenzoic acid

4-methoxy-3-pyrazin-2-yloxybenzoic acid (PubChem CID 79732439) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-methoxy-3-pyrazin-2-yloxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-pyrazin-2-yloxybenzoic acid
PubChem CID79732439
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-methoxy-3-pyrazin-2-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1Oc1cnccn1
InChIInChI=1S/C12H10N2O4/c1-17-9-3-2-8(12(15)16)6-10(9)18-11-7-13-4-5-14-11/h2-7H,1H3,(H,15,16)
InChIKeyIRGJRFNYUMFLOD-UHFFFAOYSA-N
XLogP1.98
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
CID 117053846
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-(4,6-dimethylpyrimidin-2-yl)oxy-4-methoxybenzoic acid
CID 79732948
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
CID 139199481
4-methoxy-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450108
3-[(4-bromo-1,3-thiazol-2-yl)oxy]-4-methoxybenzoic acid
CID 79732438
3-hydroxy-4-methoxybenzoic acid
CID 12575
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-pyrazin-2-yloxybenzoic acid?
The IUPAC name of 4-methoxy-3-pyrazin-2-yloxybenzoic acid (CID 79732439) is 4-methoxy-3-pyrazin-2-yloxybenzoic acid.
What is the SMILES notation for 4-methoxy-3-pyrazin-2-yloxybenzoic acid?
The canonical SMILES for 4-methoxy-3-pyrazin-2-yloxybenzoic acid is COc1ccc(C(=O)O)cc1Oc1cnccn1.
What is the InChIKey of 4-methoxy-3-pyrazin-2-yloxybenzoic acid?
The InChIKey is IRGJRFNYUMFLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-9-3-2-8(12(15)16)6-10(9)18-11-7-13-4-5-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 4-methoxy-3-pyrazin-2-yloxybenzoic acid?
4-methoxy-3-pyrazin-2-yloxybenzoic acid has a molecular weight of 246.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-pyrazin-2-yloxybenzoic acid is sourced from PubChem (CID 79732439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).