3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid

C12H15NO3 — CID 79157043

IUPAC3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OCC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C12H15NO3/c1-8-5-6-10(11(13-8)12(14)15)16-7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3,(H,14,15)
InChIKeyQNTTZTGGRLISEP-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.27
Rot. Bonds4

About 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid

3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid (PubChem CID 79157043) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
PubChem CID79157043
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(OCC2CCC2)c(C(=O)O)n1
InChIInChI=1S/C12H15NO3/c1-8-5-6-10(11(13-8)12(14)15)16-7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3,(H,14,15)
InChIKeyQNTTZTGGRLISEP-UHFFFAOYSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid (CID 79157043) is 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid is Cc1ccc(OCC2CCC2)c(C(=O)O)n1.
What is the InChIKey of 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid?
The InChIKey is QNTTZTGGRLISEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-5-6-10(11(13-8)12(14)15)16-7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid?
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 79157043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).