3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid

C11H6ClFN2O2 — CID 82481564

IUPAC3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFN2O2/c12-7-5-6(1-2-8(7)13)9-10(11(16)17)15-4-3-14-9/h1-5H,(H,16,17)
InChIKeyDLAZAMSTOFRJRR-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.63
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid

3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid (PubChem CID 82481564) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid
PubChem CID82481564
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFN2O2/c12-7-5-6(1-2-8(7)13)9-10(11(16)17)15-4-3-14-9/h1-5H,(H,16,17)
InChIKeyDLAZAMSTOFRJRR-UHFFFAOYSA-N
XLogP2.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid (CID 82481564) is 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is DLAZAMSTOFRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-7-5-6(1-2-8(7)13)9-10(11(16)17)15-4-3-14-9/h1-5H,(H,16,17).
What are the key properties of 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid?
3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 252.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 82481564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).