6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid

C13H15FN2O3 — CID 67453677

IUPAC6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid
SMILESCCOC1=NCCN(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3/c1-2-19-12-11(9-3-5-10(14)6-4-9)16(13(17)18)8-7-15-12/h3-6,11H,2,7-8H2,1H3,(H,17,18)
InChIKeyYCLKPPZRYUFAHP-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.30
Rot. Bonds2

About 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid

6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid (PubChem CID 67453677) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid
PubChem CID67453677
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid
SMILESCCOC1=NCCN(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3/c1-2-19-12-11(9-3-5-10(14)6-4-9)16(13(17)18)8-7-15-12/h3-6,11H,2,7-8H2,1H3,(H,17,18)
InChIKeyYCLKPPZRYUFAHP-UHFFFAOYSA-N
XLogP2.30
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-[1-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 53439955
Tert-butyl 4-[1-(4-fluorophenyl)-2-propanoyloxyethyl]piperazine-1-carboxylate
CID 53692315
4-(Tert-butyloxycarbonyl)-1-[1-(4-fluorophenyl)-2-methoxyethyl]piperazine
CID 54110028
4-(2,4-Difluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103595
4-(4-Fluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103597
4-(2-Fluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103601
4-(3-Fluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103603
4-(3,4-Difluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103615
4-(2-Fluorophenyl)-3-methyl-1,3-oxazolidin-2-one
CID 68103694
4-[2-Methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 68445433
tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 68603328
Tert-butyl-[1-(4-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 68603914

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The IUPAC name of 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid (CID 67453677) is 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid.
What is the SMILES notation for 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The canonical SMILES for 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid is CCOC1=NCCN(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
The InChIKey is YCLKPPZRYUFAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-19-12-11(9-3-5-10(14)6-4-9)16(13(17)18)8-7-15-12/h3-6,11H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid?
6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid is sourced from PubChem (CID 67453677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).