6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid

C14H12Cl2N2O2 — CID 175462958

IUPAC6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid
SMILESCCc1nc(C)c(-c2cccc(Cl)c2Cl)nc1C(=O)O
InChIInChI=1S/C14H12Cl2N2O2/c1-3-10-13(14(19)20)18-12(7(2)17-10)8-5-4-6-9(15)11(8)16/h4-6H,3H2,1-2H3,(H,19,20)
InChIKeyANWWTNUPPMOOLG-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.02
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid

6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid (PubChem CID 175462958) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid
PubChem CID175462958
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid
SMILESCCc1nc(C)c(-c2cccc(Cl)c2Cl)nc1C(=O)O
InChIInChI=1S/C14H12Cl2N2O2/c1-3-10-13(14(19)20)18-12(7(2)17-10)8-5-4-6-9(15)11(8)16/h4-6H,3H2,1-2H3,(H,19,20)
InChIKeyANWWTNUPPMOOLG-UHFFFAOYSA-N
XLogP4.02
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
5-(2,3-dichlorophenyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510825
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
CID 155401025
6-(2,3-dichlorophenyl)-5-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylic acid
CID 138735000
5-(2,3-dichlorophenyl)-6-ethylpyridin-2-amine
CID 139370092
[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
CID 152847395
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
5-(2,3-dichlorophenyl)-6-methylpyrazin-2-amine
CID 142143814
4-(aminomethyl)-1-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]piperidin-4-ol
CID 139309361
6-(2,3-dichlorophenyl)-5-methyl-3-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboperoxoic acid
CID 166963294
CID 163489134
CID 163489134

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid?
The IUPAC name of 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid (CID 175462958) is 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid is CCc1nc(C)c(-c2cccc(Cl)c2Cl)nc1C(=O)O.
What is the InChIKey of 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid?
The InChIKey is ANWWTNUPPMOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-3-10-13(14(19)20)18-12(7(2)17-10)8-5-4-6-9(15)11(8)16/h4-6H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid?
6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-3-ethyl-5-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 175462958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).