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

C18H13F3N2O2 — CID 135246990

IUPAC3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESCc1ccncc1-c1cccnc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c1-12-8-10-22-11-16(12)15-3-2-9-23-17(15)24-13-4-6-14(7-5-13)25-18(19,20)21/h2-11H,1H3
InChIKeyMNFSSRODFYVIIN-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.14
Rot. Bonds4

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

3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 135246990) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
PubChem CID135246990
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
SMILESCc1ccncc1-c1cccnc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c1-12-8-10-22-11-16(12)15-3-2-9-23-17(15)24-13-4-6-14(7-5-13)25-18(19,20)21/h2-11H,1H3
InChIKeyMNFSSRODFYVIIN-UHFFFAOYSA-N
XLogP5.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine (CID 135246990) is 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine is Cc1ccncc1-c1cccnc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is MNFSSRODFYVIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-12-8-10-22-11-16(12)15-3-2-9-23-17(15)24-13-4-6-14(7-5-13)25-18(19,20)21/h2-11H,1H3.
What are the key properties of 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine?
3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 346.31 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 135246990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).