3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine

C18H13F3N2O — CID 126714519

IUPAC3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1ccncc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c1-12-8-10-22-11-16(12)15-3-2-9-23-17(15)24-14-6-4-13(5-7-14)18(19,20)21/h2-11H,1H3
InChIKeyQIBIXDYDQLRFSK-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.26
Rot. Bonds3

About 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine

3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 126714519) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID126714519
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCc1ccncc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O/c1-12-8-10-22-11-16(12)15-3-2-9-23-17(15)24-14-6-4-13(5-7-14)18(19,20)21/h2-11H,1H3
InChIKeyQIBIXDYDQLRFSK-UHFFFAOYSA-N
XLogP5.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.31
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine (CID 126714519) is 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine is Cc1ccncc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is QIBIXDYDQLRFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-12-8-10-22-11-16(12)15-3-2-9-23-17(15)24-14-6-4-13(5-7-14)18(19,20)21/h2-11H,1H3.
What are the key properties of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 330.31 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 126714519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).