3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid

C13H11ClN2O2 — CID 104572799

IUPAC3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-9(11)7-10(13(17)18)12-8-15-5-6-16-12/h1-6,8,10H,7H2,(H,17,18)
InChIKeyFOLASMJGSAUZDB-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.54
Rot. Bonds4

About 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid

3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid (PubChem CID 104572799) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
PubChem CID104572799
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-9(11)7-10(13(17)18)12-8-15-5-6-16-12/h1-6,8,10H,7H2,(H,17,18)
InChIKeyFOLASMJGSAUZDB-UHFFFAOYSA-N
XLogP2.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60819170
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
CID 106505344
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
CID 60799259
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
3-(2-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 104572783
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
2-[(2-chlorophenyl)methyl]-4-pyridin-2-ylbutanoic acid
CID 79418089
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid (CID 104572799) is 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid is O=C(O)C(Cc1ccccc1Cl)c1cnccn1.
What is the InChIKey of 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid?
The InChIKey is FOLASMJGSAUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-9(11)7-10(13(17)18)12-8-15-5-6-16-12/h1-6,8,10H,7H2,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid?
3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid has a molecular weight of 262.70 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-pyrazin-2-ylpropanoic acid is sourced from PubChem (CID 104572799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).