2-pyrazin-2-yloxybenzoic acid

C11H8N2O3 — CID 61395597

IUPAC2-pyrazin-2-yloxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cnccn1
InChIInChI=1S/C11H8N2O3/c14-11(15)8-3-1-2-4-9(8)16-10-7-12-5-6-13-10/h1-7H,(H,14,15)
InChIKeyJTFCANJNVOODKY-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.97
Rot. Bonds3

About 2-pyrazin-2-yloxybenzoic acid

2-pyrazin-2-yloxybenzoic acid (PubChem CID 61395597) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-pyrazin-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-pyrazin-2-yloxybenzoic acid
PubChem CID61395597
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-pyrazin-2-yloxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cnccn1
InChIInChI=1S/C11H8N2O3/c14-11(15)8-3-1-2-4-9(8)16-10-7-12-5-6-13-10/h1-7H,(H,14,15)
InChIKeyJTFCANJNVOODKY-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-pyrazin-2-yloxybenzoic acid
CID 61395817
2-(6-chloropyrazin-2-yl)oxybenzoic acid
CID 114335564
2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
2-(2-iodophenoxy)pyrazine
CID 60965646
2-(2-bromophenoxy)pyrazine
CID 14689440
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
2-[(4-cyano-2-pyridinyl)oxy]benzoic acid
CID 61395565
2-amino-5-pyrazin-2-yloxybenzoic acid
CID 43378405
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
2-(6-chloropyridazin-3-yl)oxybenzoic acid
CID 61395460
benzoic acid;2-phenoxybenzoic acid
CID 160712085

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yloxybenzoic acid?
The IUPAC name of 2-pyrazin-2-yloxybenzoic acid (CID 61395597) is 2-pyrazin-2-yloxybenzoic acid.
What is the SMILES notation for 2-pyrazin-2-yloxybenzoic acid?
The canonical SMILES for 2-pyrazin-2-yloxybenzoic acid is O=C(O)c1ccccc1Oc1cnccn1.
What is the InChIKey of 2-pyrazin-2-yloxybenzoic acid?
The InChIKey is JTFCANJNVOODKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(15)8-3-1-2-4-9(8)16-10-7-12-5-6-13-10/h1-7H,(H,14,15).
What are the key properties of 2-pyrazin-2-yloxybenzoic acid?
2-pyrazin-2-yloxybenzoic acid has a molecular weight of 216.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yloxybenzoic acid is sourced from PubChem (CID 61395597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).