3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid

C10H11ClN2O3 — CID 103055154

IUPAC3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Cc2cnc(Cl)cn2)CCOC1
InChIInChI=1S/C10H11ClN2O3/c11-8-5-12-7(4-13-8)3-10(9(14)15)1-2-16-6-10/h4-5H,1-3,6H2,(H,14,15)
InChIKeyMORPWGGFJRFOBL-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.16
Rot. Bonds3

About 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid

3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 103055154) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid
PubChem CID103055154
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Cc2cnc(Cl)cn2)CCOC1
InChIInChI=1S/C10H11ClN2O3/c11-8-5-12-7(4-13-8)3-10(9(14)15)1-2-16-6-10/h4-5H,1-3,6H2,(H,14,15)
InChIKeyMORPWGGFJRFOBL-UHFFFAOYSA-N
XLogP1.16
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid (CID 103055154) is 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(Cc2cnc(Cl)cn2)CCOC1.
What is the InChIKey of 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is MORPWGGFJRFOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-5-12-7(4-13-8)3-10(9(14)15)1-2-16-6-10/h4-5H,1-3,6H2,(H,14,15).
What are the key properties of 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid?
3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrazin-2-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 103055154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).