6-(3-methoxypropoxy)pyrazine-2-carboxylic acid

C9H12N2O4 — CID 66455715

IUPAC6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
SMILESCOCCCOc1cncc(C(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-14-3-2-4-15-8-6-10-5-7(11-8)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyQGGUGQCPYQRBIY-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.59
Rot. Bonds6

About 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid

6-(3-methoxypropoxy)pyrazine-2-carboxylic acid (PubChem CID 66455715) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
PubChem CID66455715
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
SMILESCOCCCOc1cncc(C(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-14-3-2-4-15-8-6-10-5-7(11-8)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyQGGUGQCPYQRBIY-UHFFFAOYSA-N
XLogP0.59
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylbutoxy)pyrazine-2-carboxylic acid
CID 66456478
methyl 6-(4,4,4-trifluorobutoxy)pyrazine-2-carboxylate
CID 82787869
methyl 6-[3-(propan-2-ylamino)propoxy]pyrazine-2-carboxylate
CID 66455846
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 66456909
[6-[2-(3-methoxypropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 103180853
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
CID 106447133
6-[2-(3-methoxypropoxy)ethoxy]-N-methylpyrazin-2-amine
CID 103176525
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
CID 122054723

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid (CID 66455715) is 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid is COCCCOc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid?
The InChIKey is QGGUGQCPYQRBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-3-2-4-15-8-6-10-5-7(11-8)9(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid?
6-(3-methoxypropoxy)pyrazine-2-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66455715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).