4-(3-methoxypyrazin-2-yl)benzoic acid

C12H10N2O3 — CID 67257988

IUPAC4-(3-methoxypyrazin-2-yl)benzoic acid
SMILESCOc1nccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H10N2O3/c1-17-11-10(13-6-7-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyFAGVJSHRQCLLLV-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 4-(3-methoxypyrazin-2-yl)benzoic acid

4-(3-methoxypyrazin-2-yl)benzoic acid (PubChem CID 67257988) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(3-methoxypyrazin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-methoxypyrazin-2-yl)benzoic acid
PubChem CID67257988
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(3-methoxypyrazin-2-yl)benzoic acid
SMILESCOc1nccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H10N2O3/c1-17-11-10(13-6-7-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyFAGVJSHRQCLLLV-UHFFFAOYSA-N
XLogP1.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(3-methoxypyrazin-2-yl)benzoic acid
CID 107989853
[4-(2-hydroxyethyl)piperazin-1-yl]-[4-(3-methoxypyrazin-2-yl)phenyl]methanone
CID 119059624
4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid
CID 59165723
4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 119063323
N-[(1-ethylimidazol-2-yl)methyl]-4-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 119069160
3-methoxypyrazine-2-carboxylic acid
CID 22395692
4-methoxybenzoic acid;pyridine
CID 174860408
4-(5-methoxypyrazin-2-yl)benzoic acid
CID 67257014
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
[3-(3-methoxypyrazin-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 118782256
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrazin-2-yl)benzoic acid?
The IUPAC name of 4-(3-methoxypyrazin-2-yl)benzoic acid (CID 67257988) is 4-(3-methoxypyrazin-2-yl)benzoic acid.
What is the SMILES notation for 4-(3-methoxypyrazin-2-yl)benzoic acid?
The canonical SMILES for 4-(3-methoxypyrazin-2-yl)benzoic acid is COc1nccnc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(3-methoxypyrazin-2-yl)benzoic acid?
The InChIKey is FAGVJSHRQCLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-11-10(13-6-7-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 4-(3-methoxypyrazin-2-yl)benzoic acid?
4-(3-methoxypyrazin-2-yl)benzoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrazin-2-yl)benzoic acid is sourced from PubChem (CID 67257988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).