4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid

C13H17NO3 — CID 106206475

IUPAC4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COCCC2CCC2)ccn1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-11(4-6-14-12)9-17-7-5-10-2-1-3-10/h4,6,8,10H,1-3,5,7,9H2,(H,15,16)
InChIKeyWTSNULIJNAWNPL-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.49
Rot. Bonds6

About 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid

4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid (PubChem CID 106206475) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid
PubChem CID106206475
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COCCC2CCC2)ccn1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-11(4-6-14-12)9-17-7-5-10-2-1-3-10/h4,6,8,10H,1-3,5,7,9H2,(H,15,16)
InChIKeyWTSNULIJNAWNPL-UHFFFAOYSA-N
XLogP2.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fusaric Acid
CID 3442
Picolinic acid
CID 1018
2,4-Pyridinedicarboxylic acid
CID 10365
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
2-Carboxy-3-pyridineacetic acid
CID 3080554
Ethyl 2-pyridinecarboxylate
CID 17307
Diethyl 2,4-pyridinedicarboxylate
CID 170509
5-Methylpicolinic acid
CID 199575
2-Methyl 2,3-pyridinedicarboxylate
CID 98626
Dimethyl pyridine-2,4-dicarboxylate
CID 254545
Lutidinate
CID 6950550
5-Cyclohexylpicolinic acid
CID 658651

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid (CID 106206475) is 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(COCCC2CCC2)ccn1.
What is the InChIKey of 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is WTSNULIJNAWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12-8-11(4-6-14-12)9-17-7-5-10-2-1-3-10/h4,6,8,10H,1-3,5,7,9H2,(H,15,16).
What are the key properties of 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid?
4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106206475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).