3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine

C19H13ClF3NO — CID 46044327

IUPAC3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cncc(COc3ccccc3Cl)c2)c1
InChIInChI=1S/C19H13ClF3NO/c20-17-6-1-2-7-18(17)25-12-13-8-15(11-24-10-13)14-4-3-5-16(9-14)19(21,22)23/h1-11H,12H2
InChIKeyGBGIXKABMVVSSN-UHFFFAOYSA-N
MW363.77 g/mol
LogP6.00
Rot. Bonds4

About 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine

3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 46044327) has the molecular formula C19H13ClF3NO and a molecular weight of 363.77 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID46044327
Molecular FormulaC19H13ClF3NO
Molecular Weight363.77 g/mol
Exact Mass363.06
IUPAC Name3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cncc(COc3ccccc3Cl)c2)c1
InChIInChI=1S/C19H13ClF3NO/c20-17-6-1-2-7-18(17)25-12-13-8-15(11-24-10-13)14-4-3-5-16(9-14)19(21,22)23/h1-11H,12H2
InChIKeyGBGIXKABMVVSSN-UHFFFAOYSA-N
XLogP6.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenoxy)methyl]-5-(4-methylphenyl)pyridine
CID 42851667
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
3-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]pyridine
CID 42851689
3-(1-benzothiophen-2-yl)-5-[(2-chlorophenoxy)methyl]pyridine
CID 42851650
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-phenylbenzoic acid
CID 155154013
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
4-[(2-chlorophenoxy)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 141222707

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine (CID 46044327) is 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2cncc(COc3ccccc3Cl)c2)c1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GBGIXKABMVVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO/c20-17-6-1-2-7-18(17)25-12-13-8-15(11-24-10-13)14-4-3-5-16(9-14)19(21,22)23/h1-11H,12H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine?
3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 363.77 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46044327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).