4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid

C13H17NO2 — CID 96609064

IUPAC4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(C2CCC2)c1C
InChIInChI=1S/C13H17NO2/c1-3-11-8(2)12(9-5-4-6-9)10(7-14-11)13(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKeyDFFMOAOTTUBEQD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.92
Rot. Bonds3

About 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid

4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid (PubChem CID 96609064) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
PubChem CID96609064
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(C2CCC2)c1C
InChIInChI=1S/C13H17NO2/c1-3-11-8(2)12(9-5-4-6-9)10(7-14-11)13(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKeyDFFMOAOTTUBEQD-UHFFFAOYSA-N
XLogP2.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid (CID 96609064) is 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid is CCc1ncc(C(=O)O)c(C2CCC2)c1C.
What is the InChIKey of 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
The InChIKey is DFFMOAOTTUBEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-11-8(2)12(9-5-4-6-9)10(7-14-11)13(15)16/h7,9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-ethyl-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 96609064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).