5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid

C16H14ClNO3 — CID 66678618

IUPAC5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClNO3/c17-12-6-4-10(5-7-12)14-8-11(16(19)20)9-18-15(14)21-13-2-1-3-13/h4-9,13H,1-3H2,(H,19,20)
InChIKeyGGCICZHFWINFFY-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.03
Rot. Bonds4

About 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid

5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid (PubChem CID 66678618) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid
PubChem CID66678618
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClNO3/c17-12-6-4-10(5-7-12)14-8-11(16(19)20)9-18-15(14)21-13-2-1-3-13/h4-9,13H,1-3H2,(H,19,20)
InChIKeyGGCICZHFWINFFY-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid (CID 66678618) is 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid is O=C(O)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid?
The InChIKey is GGCICZHFWINFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-12-6-4-10(5-7-12)14-8-11(16(19)20)9-18-15(14)21-13-2-1-3-13/h4-9,13H,1-3H2,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid?
5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid has a molecular weight of 303.75 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid is sourced from PubChem (CID 66678618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).