5-(cyclopentylmethoxy)pyridine-2-carboxylic acid

C12H15NO3 — CID 79794070

IUPAC5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCC2CCCC2)cn1
InChIInChI=1S/C12H15NO3/c14-12(15)11-6-5-10(7-13-11)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,14,15)
InChIKeyDDLPVOIGRYTGAP-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds4

About 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid

5-(cyclopentylmethoxy)pyridine-2-carboxylic acid (PubChem CID 79794070) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
PubChem CID79794070
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCC2CCCC2)cn1
InChIInChI=1S/C12H15NO3/c14-12(15)11-6-5-10(7-13-11)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,14,15)
InChIKeyDDLPVOIGRYTGAP-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid (CID 79794070) is 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OCC2CCCC2)cn1.
What is the InChIKey of 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is DDLPVOIGRYTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)11-6-5-10(7-13-11)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,14,15).
What are the key properties of 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid?
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 79794070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).