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

C10H14N2O3 — CID 66456478

IUPAC6-(3-methylbutoxy)pyrazine-2-carboxylic acid
SMILESCC(C)CCOc1cncc(C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-7(2)3-4-15-9-6-11-5-8(12-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyUKDNZOPOIUVKSP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.60
Rot. Bonds5

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

6-(3-methylbutoxy)pyrazine-2-carboxylic acid (PubChem CID 66456478) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-(3-methylbutoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylbutoxy)pyrazine-2-carboxylic acid
PubChem CID66456478
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-(3-methylbutoxy)pyrazine-2-carboxylic acid
SMILESCC(C)CCOc1cncc(C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-7(2)3-4-15-9-6-11-5-8(12-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyUKDNZOPOIUVKSP-UHFFFAOYSA-N
XLogP1.60
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
6-(3-methoxypropoxy)pyrazine-2-carboxylic acid
CID 66455715
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
6-(3-methylbutoxy)pyridine-3-carboxylic acid
CID 22219927
methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
CID 106447133
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 6-[3-(propan-2-ylamino)propoxy]pyrazine-2-carboxylate
CID 66455846
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-(4-chlorophenyl)-5-(3-methylbutoxy)pyrazine-2-carboxylic acid
CID 67505424
2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
CID 113379610
6-ethoxy-N-propan-2-ylpyrazine-2-carboxamide
CID 176998617
6-propan-2-ylpyrazine-2-carboxylic acid
CID 59618308

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-methylbutoxy)pyrazine-2-carboxylic acid (CID 66456478) is 6-(3-methylbutoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-methylbutoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-methylbutoxy)pyrazine-2-carboxylic acid is CC(C)CCOc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(3-methylbutoxy)pyrazine-2-carboxylic acid?
The InChIKey is UKDNZOPOIUVKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)3-4-15-9-6-11-5-8(12-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-(3-methylbutoxy)pyrazine-2-carboxylic acid?
6-(3-methylbutoxy)pyrazine-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).