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

C18H13F3N2O2 — CID 135235672

IUPAC2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c1-24-16-14(4-2-10-22-16)15-5-3-11-23-17(15)25-13-8-6-12(7-9-13)18(19,20)21/h2-11H,1H3
InChIKeyZCMXMBLULQKBOW-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.96
Rot. Bonds4

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

2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine (PubChem CID 135235672) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine
PubChem CID135235672
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c1-24-16-14(4-2-10-22-16)15-5-3-11-23-17(15)25-13-8-6-12(7-9-13)18(19,20)21/h2-11H,1H3
InChIKeyZCMXMBLULQKBOW-UHFFFAOYSA-N
XLogP4.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
The IUPAC name of 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine (CID 135235672) is 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
The canonical SMILES for 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine is COc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
The InChIKey is ZCMXMBLULQKBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-24-16-14(4-2-10-22-16)15-5-3-11-23-17(15)25-13-8-6-12(7-9-13)18(19,20)21/h2-11H,1H3.
What are the key properties of 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine has a molecular weight of 346.31 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine is sourced from PubChem (CID 135235672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).