3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine

C13H10F3NO — CID 46317327

IUPAC3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C13H10F3NO/c1-18-12-5-4-9(7-11(12)13(14,15)16)10-3-2-6-17-8-10/h2-8H,1H3
InChIKeyANGJIXLFQOMBQT-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.78
Rot. Bonds2

About 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine

3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 46317327) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
PubChem CID46317327
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C13H10F3NO/c1-18-12-5-4-9(7-11(12)13(14,15)16)10-3-2-6-17-8-10/h2-8H,1H3
InChIKeyANGJIXLFQOMBQT-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
CID 166784771
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213
7-methoxy-4-(3-pyridin-3-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 11269885
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870150
ethyl 5-pyridin-3-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 46317787
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine (CID 46317327) is 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ANGJIXLFQOMBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-18-12-5-4-9(7-11(12)13(14,15)16)10-3-2-6-17-8-10/h2-8H,1H3.
What are the key properties of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine?
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 253.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46317327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).