6-(3-methylbutoxy)pyridine-3-carboxylic acid

C11H15NO3 — CID 22219927

IUPAC6-(3-methylbutoxy)pyridine-3-carboxylic acid
SMILESCC(C)CCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H15NO3/c1-8(2)5-6-15-10-4-3-9(7-12-10)11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyXNLKDKSOPSBISW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.20
Rot. Bonds5

About 6-(3-methylbutoxy)pyridine-3-carboxylic acid

6-(3-methylbutoxy)pyridine-3-carboxylic acid (PubChem CID 22219927) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(3-methylbutoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylbutoxy)pyridine-3-carboxylic acid
PubChem CID22219927
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name6-(3-methylbutoxy)pyridine-3-carboxylic acid
SMILESCC(C)CCOc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H15NO3/c1-8(2)5-6-15-10-4-3-9(7-12-10)11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyXNLKDKSOPSBISW-UHFFFAOYSA-N
XLogP2.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
6-(3-methylbutoxy)pyrazine-2-carboxylic acid
CID 66456478
2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
CID 113379610
2-(3-methylbutoxy)ethyl 6-propan-2-yloxypyridine-3-carboxylate
CID 60541445
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
2-methyl-N-[[6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289979
4-(4-methylpentoxy)benzoic acid
CID 22645282
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
1-[6-(2-fluoroethoxy)-3-pyridinyl]ethanone
CID 58629025
6-(cyclopentylmethoxy)pyridine-3-carboxylic acid
CID 66324302
6-[1-(3-methylbutylamino)ethenyl]pyridine-3-carboxylic acid
CID 146839818
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methylbutoxy)pyridine-3-carboxylic acid (CID 22219927) is 6-(3-methylbutoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methylbutoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methylbutoxy)pyridine-3-carboxylic acid is CC(C)CCOc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(3-methylbutoxy)pyridine-3-carboxylic acid?
The InChIKey is XNLKDKSOPSBISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)5-6-15-10-4-3-9(7-12-10)11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 6-(3-methylbutoxy)pyridine-3-carboxylic acid?
6-(3-methylbutoxy)pyridine-3-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 22219927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).