2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid

C12H6ClN3O3 — CID 106502963

IUPAC2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
SMILESN#Cc1nccnc1Oc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C12H6ClN3O3/c13-9-2-1-7(5-8(9)12(17)18)19-11-10(6-14)15-3-4-16-11/h1-5H,(H,17,18)
InChIKeyTXTWSOLHYIFWLQ-UHFFFAOYSA-N
MW275.65 g/mol
LogP2.49
Rot. Bonds3

About 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid

2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid (PubChem CID 106502963) has the molecular formula C12H6ClN3O3 and a molecular weight of 275.65 g/mol. Its IUPAC name is 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
PubChem CID106502963
Molecular FormulaC12H6ClN3O3
Molecular Weight275.65 g/mol
Exact Mass275.01
IUPAC Name2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
SMILESN#Cc1nccnc1Oc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C12H6ClN3O3/c13-9-2-1-7(5-8(9)12(17)18)19-11-10(6-14)15-3-4-16-11/h1-5H,(H,17,18)
InChIKeyTXTWSOLHYIFWLQ-UHFFFAOYSA-N
XLogP2.49
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyanopyrazin-2-yl)oxy-2-nitrobenzoic acid
CID 107077810
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
2-chloro-5-(5-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502939
2-(3-cyanopyrazin-2-yl)oxy-4-fluorobenzoic acid
CID 107016607
4-bromo-2-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 62683663
4-(3-cyanopyrazin-2-yl)oxybenzamide
CID 62683866
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
2-chloro-5-thieno[3,2-c]pyridin-4-yloxybenzoic acid
CID 106502824
2-chloro-5-(cyanomethoxy)benzoic acid
CID 106500563
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid?
The IUPAC name of 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid (CID 106502963) is 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid?
The canonical SMILES for 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid is N#Cc1nccnc1Oc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid?
The InChIKey is TXTWSOLHYIFWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN3O3/c13-9-2-1-7(5-8(9)12(17)18)19-11-10(6-14)15-3-4-16-11/h1-5H,(H,17,18).
What are the key properties of 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid?
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid has a molecular weight of 275.65 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid is sourced from PubChem (CID 106502963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).