1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid

C10H11ClN2O2 — CID 103055160

IUPAC1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cnc(Cl)cn2)CCC1
InChIInChI=1S/C10H11ClN2O2/c11-8-6-12-7(5-13-8)4-10(9(14)15)2-1-3-10/h5-6H,1-4H2,(H,14,15)
InChIKeyZLUNHBXQTNVFSI-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.93
Rot. Bonds3

About 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid

1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 103055160) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID103055160
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cnc(Cl)cn2)CCC1
InChIInChI=1S/C10H11ClN2O2/c11-8-6-12-7(5-13-8)4-10(9(14)15)2-1-3-10/h5-6H,1-4H2,(H,14,15)
InChIKeyZLUNHBXQTNVFSI-UHFFFAOYSA-N
XLogP1.93
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid (CID 103055160) is 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(Cc2cnc(Cl)cn2)CCC1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZLUNHBXQTNVFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-6-12-7(5-13-8)4-10(9(14)15)2-1-3-10/h5-6H,1-4H2,(H,14,15).
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103055160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).