2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine

C13H9ClF3NO2 — CID 119023507

IUPAC2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1cnc(Cl)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9ClF3NO2/c1-19-11-7-18-12(14)6-10(11)8-2-4-9(5-3-8)20-13(15,16)17/h2-7H,1H3
InChIKeyMBTLNRHHNGSULO-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine

2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 119023507) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID119023507
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1cnc(Cl)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9ClF3NO2/c1-19-11-7-18-12(14)6-10(11)8-2-4-9(5-3-8)20-13(15,16)17/h2-7H,1H3
InChIKeyMBTLNRHHNGSULO-UHFFFAOYSA-N
XLogP4.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
6-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086741
4-ethynyl-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 172879728
3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134627172
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine (CID 119023507) is 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine is COc1cnc(Cl)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is MBTLNRHHNGSULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-19-11-7-18-12(14)6-10(11)8-2-4-9(5-3-8)20-13(15,16)17/h2-7H,1H3.
What are the key properties of 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine?
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 303.67 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 119023507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).