5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid

C18H15ClF3NO3 — CID 21109701

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C18H15ClF3NO3/c19-15-6-5-11(18(20,21)22)8-13(15)14-7-10(17(24)25)9-23-16(14)26-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,24,25)
InChIKeyHHMPTAGUHFSQJT-UHFFFAOYSA-N
MW385.77 g/mol
LogP5.44
Rot. Bonds4

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid

5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid (PubChem CID 21109701) has the molecular formula C18H15ClF3NO3 and a molecular weight of 385.77 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid
PubChem CID21109701
Molecular FormulaC18H15ClF3NO3
Molecular Weight385.77 g/mol
Exact Mass385.07
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C18H15ClF3NO3/c19-15-6-5-11(18(20,21)22)8-13(15)14-7-10(17(24)25)9-23-16(14)26-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,24,25)
InChIKeyHHMPTAGUHFSQJT-UHFFFAOYSA-N
XLogP5.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.77
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid (CID 21109701) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid is O=C(O)c1cnc(OC2CCCC2)c(-c2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid?
The InChIKey is HHMPTAGUHFSQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO3/c19-15-6-5-11(18(20,21)22)8-13(15)14-7-10(17(24)25)9-23-16(14)26-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,24,25).
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid?
5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid has a molecular weight of 385.77 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-6-cyclopentyloxypyridine-3-carboxylic acid is sourced from PubChem (CID 21109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).