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

C13H9ClF3NO2 — CID 134625989

IUPAC3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1ncc(-c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3NO2/c1-19-12-10(14)6-8(7-18-12)9-4-2-3-5-11(9)20-13(15,16)17/h2-7H,1H3
InChIKeyMMKPNHVBIQSKBV-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.31
Rot. Bonds3

About 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine

3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134625989) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID134625989
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1ncc(-c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3NO2/c1-19-12-10(14)6-8(7-18-12)9-4-2-3-5-11(9)20-13(15,16)17/h2-7H,1H3
InChIKeyMMKPNHVBIQSKBV-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

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Related Compounds

2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
[3,5-bis[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 134623328
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
CID 118807452
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 119015031
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine (CID 134625989) is 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine is COc1ncc(-c2ccccc2OC(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is MMKPNHVBIQSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-19-12-10(14)6-8(7-18-12)9-4-2-3-5-11(9)20-13(15,16)17/h2-7H,1H3.
What are the key properties of 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine?
3-chloro-2-methoxy-5-[2-(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 3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134625989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).