6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid

C17H17NO3 — CID 134391742

IUPAC6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c19-17(20)13-10-15(12-6-2-1-3-7-12)16(18-11-13)21-14-8-4-5-9-14/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,19,20)
InChIKeyPHEXUETTZNTKII-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.77
Rot. Bonds4

About 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid

6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid (PubChem CID 134391742) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
PubChem CID134391742
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C17H17NO3/c19-17(20)13-10-15(12-6-2-1-3-7-12)16(18-11-13)21-14-8-4-5-9-14/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,19,20)
InChIKeyPHEXUETTZNTKII-UHFFFAOYSA-N
XLogP3.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid?
The IUPAC name of 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid (CID 134391742) is 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid is O=C(O)c1cnc(OC2CCCC2)c(-c2ccccc2)c1.
What is the InChIKey of 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid?
The InChIKey is PHEXUETTZNTKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(20)13-10-15(12-6-2-1-3-7-12)16(18-11-13)21-14-8-4-5-9-14/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,19,20).
What are the key properties of 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid?
6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 134391742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).