2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine

C15H13ClF3NO — CID 144912474

IUPAC2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine
SMILESCCCc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C15H13ClF3NO/c1-2-4-10-5-3-6-14(20-10)12-9-11(7-8-13(12)16)21-15(17,18)19/h3,5-9H,2,4H2,1H3
InChIKeyCYJRGCWIVPDZCA-UHFFFAOYSA-N
MW315.72 g/mol
LogP5.25
Rot. Bonds4

About 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine

2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine (PubChem CID 144912474) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine
PubChem CID144912474
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine
SMILESCCCc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C15H13ClF3NO/c1-2-4-10-5-3-6-14(20-10)12-9-11(7-8-13(12)16)21-15(17,18)19/h3,5-9H,2,4H2,1H3
InChIKeyCYJRGCWIVPDZCA-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.72
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-6-propylpyridine
CID 102345824
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
4-chloro-6-propyl-2-[4-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]pyrimidine
CID 22170026
6-[2-chloro-5-(trifluoromethoxy)phenyl]-1H-pyridine-2-thione
CID 123703827
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202462
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine?
The IUPAC name of 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine (CID 144912474) is 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine is CCCc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)n1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine?
The InChIKey is CYJRGCWIVPDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-2-4-10-5-3-6-14(20-10)12-9-11(7-8-13(12)16)21-15(17,18)19/h3,5-9H,2,4H2,1H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine?
2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine has a molecular weight of 315.72 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine is sourced from PubChem (CID 144912474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).