2-(6-chloropyrazin-2-yl)oxybenzoic acid

C11H7ClN2O3 — CID 114335564

IUPAC2-(6-chloropyrazin-2-yl)oxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cncc(Cl)n1
InChIInChI=1S/C11H7ClN2O3/c12-9-5-13-6-10(14-9)17-8-4-2-1-3-7(8)11(15)16/h1-6H,(H,15,16)
InChIKeyQDHDCGOAIOQMPE-UHFFFAOYSA-N
MW250.64 g/mol
LogP2.62
Rot. Bonds3

About 2-(6-chloropyrazin-2-yl)oxybenzoic acid

2-(6-chloropyrazin-2-yl)oxybenzoic acid (PubChem CID 114335564) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 2-(6-chloropyrazin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-(6-chloropyrazin-2-yl)oxybenzoic acid
PubChem CID114335564
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name2-(6-chloropyrazin-2-yl)oxybenzoic acid
SMILESO=C(O)c1ccccc1Oc1cncc(Cl)n1
InChIInChI=1S/C11H7ClN2O3/c12-9-5-13-6-10(14-9)17-8-4-2-1-3-7(8)11(15)16/h1-6H,(H,15,16)
InChIKeyQDHDCGOAIOQMPE-UHFFFAOYSA-N
XLogP2.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloropyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 114335580
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 54220011
2-pyrazin-2-yloxybenzoic acid
CID 61395597
2-(6-chloropyridazin-3-yl)oxybenzoic acid
CID 61395460
2-chloro-6-(2-methoxyphenoxy)pyrazine
CID 61057285
2-chloro-6-(2-propan-2-ylphenoxy)pyrazine
CID 54915358
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
2-[(4-amino-3-pyridinyl)oxy]benzoic acid
CID 22164896
2-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335537
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2,6-bis(2-bromophenoxy)pyrazine
CID 177456586

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazin-2-yl)oxybenzoic acid?
The IUPAC name of 2-(6-chloropyrazin-2-yl)oxybenzoic acid (CID 114335564) is 2-(6-chloropyrazin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-(6-chloropyrazin-2-yl)oxybenzoic acid?
The canonical SMILES for 2-(6-chloropyrazin-2-yl)oxybenzoic acid is O=C(O)c1ccccc1Oc1cncc(Cl)n1.
What is the InChIKey of 2-(6-chloropyrazin-2-yl)oxybenzoic acid?
The InChIKey is QDHDCGOAIOQMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-9-5-13-6-10(14-9)17-8-4-2-1-3-7(8)11(15)16/h1-6H,(H,15,16).
What are the key properties of 2-(6-chloropyrazin-2-yl)oxybenzoic acid?
2-(6-chloropyrazin-2-yl)oxybenzoic acid has a molecular weight of 250.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazin-2-yl)oxybenzoic acid is sourced from PubChem (CID 114335564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).