4-(5-methoxypyrazin-2-yl)benzoic acid

C12H10N2O3 — CID 67257014

IUPAC4-(5-methoxypyrazin-2-yl)benzoic acid
SMILESCOc1cnc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C12H10N2O3/c1-17-11-7-13-10(6-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyBSJANCGTUWLFLL-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 4-(5-methoxypyrazin-2-yl)benzoic acid

4-(5-methoxypyrazin-2-yl)benzoic acid (PubChem CID 67257014) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(5-methoxypyrazin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methoxypyrazin-2-yl)benzoic acid
PubChem CID67257014
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(5-methoxypyrazin-2-yl)benzoic acid
SMILESCOc1cnc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C12H10N2O3/c1-17-11-7-13-10(6-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyBSJANCGTUWLFLL-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

3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid
CID 123495472
4-(5-octylpyrazin-2-yl)benzoic acid
CID 57270036
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid
CID 82556304
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
6-[5-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-5-[6-(5-carboxy-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 155051677
4-(3-methoxypyrazin-2-yl)benzoic acid
CID 67257988
4-(2H-triazol-4-yl)benzoic acid
CID 58971816
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypyrazin-2-yl)benzoic acid?
The IUPAC name of 4-(5-methoxypyrazin-2-yl)benzoic acid (CID 67257014) is 4-(5-methoxypyrazin-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-methoxypyrazin-2-yl)benzoic acid?
The canonical SMILES for 4-(5-methoxypyrazin-2-yl)benzoic acid is COc1cnc(-c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-(5-methoxypyrazin-2-yl)benzoic acid?
The InChIKey is BSJANCGTUWLFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-11-7-13-10(6-14-11)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 4-(5-methoxypyrazin-2-yl)benzoic acid?
4-(5-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-(5-methoxypyrazin-2-yl)benzoic acid is sourced from PubChem (CID 67257014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).