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

C12H10N2O4 — CID 61395817

IUPAC3-methoxy-2-pyrazin-2-yloxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1cnccn1
InChIInChI=1S/C12H10N2O4/c1-17-9-4-2-3-8(12(15)16)11(9)18-10-7-13-5-6-14-10/h2-7H,1H3,(H,15,16)
InChIKeyFNFSFKCYJQMPSG-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.98
Rot. Bonds4

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

3-methoxy-2-pyrazin-2-yloxybenzoic acid (PubChem CID 61395817) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-methoxy-2-pyrazin-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-2-pyrazin-2-yloxybenzoic acid
PubChem CID61395817
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-methoxy-2-pyrazin-2-yloxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1cnccn1
InChIInChI=1S/C12H10N2O4/c1-17-9-4-2-3-8(12(15)16)11(9)18-10-7-13-5-6-14-10/h2-7H,1H3,(H,15,16)
InChIKeyFNFSFKCYJQMPSG-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

2-pyrazin-2-yloxybenzoic acid
CID 61395597
2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395806
3-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973520
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 112694211
2-(4-cyanopyridazin-3-yl)oxy-3-methoxybenzoic acid
CID 80516276
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)oxy]-3-methoxybenzoic acid
CID 114585664
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-pyrazin-2-yloxybenzoic acid?
The IUPAC name of 3-methoxy-2-pyrazin-2-yloxybenzoic acid (CID 61395817) is 3-methoxy-2-pyrazin-2-yloxybenzoic acid.
What is the SMILES notation for 3-methoxy-2-pyrazin-2-yloxybenzoic acid?
The canonical SMILES for 3-methoxy-2-pyrazin-2-yloxybenzoic acid is COc1cccc(C(=O)O)c1Oc1cnccn1.
What is the InChIKey of 3-methoxy-2-pyrazin-2-yloxybenzoic acid?
The InChIKey is FNFSFKCYJQMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-17-9-4-2-3-8(12(15)16)11(9)18-10-7-13-5-6-14-10/h2-7H,1H3,(H,15,16).
What are the key properties of 3-methoxy-2-pyrazin-2-yloxybenzoic acid?
3-methoxy-2-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 3-methoxy-2-pyrazin-2-yloxybenzoic acid is sourced from PubChem (CID 61395817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).