6-(4-propylphenoxy)pyrazine-2-carboxylic acid

C14H14N2O3 — CID 66456710

IUPAC6-(4-propylphenoxy)pyrazine-2-carboxylic acid
SMILESCCCc1ccc(Oc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-3-10-4-6-11(7-5-10)19-13-9-15-8-12(16-13)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyWDECIGVGXGNMMK-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.92
Rot. Bonds5

About 6-(4-propylphenoxy)pyrazine-2-carboxylic acid

6-(4-propylphenoxy)pyrazine-2-carboxylic acid (PubChem CID 66456710) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(4-propylphenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-propylphenoxy)pyrazine-2-carboxylic acid
PubChem CID66456710
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(4-propylphenoxy)pyrazine-2-carboxylic acid
SMILESCCCc1ccc(Oc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C14H14N2O3/c1-2-3-10-4-6-11(7-5-10)19-13-9-15-8-12(16-13)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyWDECIGVGXGNMMK-UHFFFAOYSA-N
XLogP2.92
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 66457073
6-phenoxypyrazine-2-carboxamide
CID 21218509
2-[4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]ethanol
CID 107710246
6-[4-[[5-methyl-1-[(4-methylphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyrazine-2-carboxylic acid
CID 130278244
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
5,6-dimethyl-3-(4-propylphenoxy)pyridazine-4-carboxylic acid
CID 62701914
5-(4-propylphenoxy)pyridine-3-carbaldehyde
CID 113469461

Frequently Asked Questions

What is the IUPAC name of 6-(4-propylphenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-propylphenoxy)pyrazine-2-carboxylic acid (CID 66456710) is 6-(4-propylphenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-propylphenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-propylphenoxy)pyrazine-2-carboxylic acid is CCCc1ccc(Oc2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-propylphenoxy)pyrazine-2-carboxylic acid?
The InChIKey is WDECIGVGXGNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-3-10-4-6-11(7-5-10)19-13-9-15-8-12(16-13)14(17)18/h4-9H,2-3H2,1H3,(H,17,18).
What are the key properties of 6-(4-propylphenoxy)pyrazine-2-carboxylic acid?
6-(4-propylphenoxy)pyrazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propylphenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).