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

C9H9ClN2O2 — CID 103055162

IUPAC1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C9H9ClN2O2/c10-7-5-11-6(4-12-7)3-9(1-2-9)8(13)14/h4-5H,1-3H2,(H,13,14)
InChIKeyFJIAVGDIEIQWSS-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.54
Rot. Bonds3

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

1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 103055162) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID103055162
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C9H9ClN2O2/c10-7-5-11-6(4-12-7)3-9(1-2-9)8(13)14/h4-5H,1-3H2,(H,13,14)
InChIKeyFJIAVGDIEIQWSS-UHFFFAOYSA-N
XLogP1.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.54
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]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid (CID 103055162) is 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2cnc(Cl)cn2)CC1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FJIAVGDIEIQWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-5-11-6(4-12-7)3-9(1-2-9)8(13)14/h4-5H,1-3H2,(H,13,14).
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(5-chloropyrazin-2-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 212.64 g/mol, XLogP of 1.54, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103055162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).