3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine

C19H14ClF3N2O — CID 86304430

IUPAC3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
SMILESCOc1ncc(Cc2ccc(C(F)(F)F)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H14ClF3N2O/c1-26-18-16(14-3-2-4-15(20)9-14)8-13(11-25-18)7-12-5-6-17(24-10-12)19(21,22)23/h2-6,8-11H,7H2,1H3
InChIKeyOQCRAIRTAGWAJO-UHFFFAOYSA-N
MW378.78 g/mol
LogP5.42
Rot. Bonds4

About 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine

3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine (PubChem CID 86304430) has the molecular formula C19H14ClF3N2O and a molecular weight of 378.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
PubChem CID86304430
Molecular FormulaC19H14ClF3N2O
Molecular Weight378.78 g/mol
Exact Mass378.07
IUPAC Name3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
SMILESCOc1ncc(Cc2ccc(C(F)(F)F)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H14ClF3N2O/c1-26-18-16(14-3-2-4-15(20)9-14)8-13(11-25-18)7-12-5-6-17(24-10-12)19(21,22)23/h2-6,8-11H,7H2,1H3
InChIKeyOQCRAIRTAGWAJO-UHFFFAOYSA-N
XLogP5.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.78
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine (CID 86304430) is 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine is COc1ncc(Cc2ccc(C(F)(F)F)nc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
The InChIKey is OQCRAIRTAGWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O/c1-26-18-16(14-3-2-4-15(20)9-14)8-13(11-25-18)7-12-5-6-17(24-10-12)19(21,22)23/h2-6,8-11H,7H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine has a molecular weight of 378.78 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-methoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine is sourced from PubChem (CID 86304430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).