6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid

C16H15ClN2O2 — CID 67504843

IUPAC6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O2/c17-12-6-4-11(5-7-12)15-13(8-3-10-1-2-10)18-9-14(19-15)16(20)21/h4-7,9-10H,1-3,8H2,(H,20,21)
InChIKeyLKMFGHYXBYGXNG-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.84
Rot. Bonds5

About 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid

6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid (PubChem CID 67504843) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid
PubChem CID67504843
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O2/c17-12-6-4-11(5-7-12)15-13(8-3-10-1-2-10)18-9-14(19-15)16(20)21/h4-7,9-10H,1-3,8H2,(H,20,21)
InChIKeyLKMFGHYXBYGXNG-UHFFFAOYSA-N
XLogP3.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid (CID 67504843) is 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(CCC2CC2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid?
The InChIKey is LKMFGHYXBYGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-6-4-11(5-7-12)15-13(8-3-10-1-2-10)18-9-14(19-15)16(20)21/h4-7,9-10H,1-3,8H2,(H,20,21).
What are the key properties of 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid?
6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid has a molecular weight of 302.76 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(2-cyclopropylethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 67504843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).