2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine

C20H18F2N2O — CID 135246403

IUPAC2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine
SMILESCc1ccncc1-c1c(C)ccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C20H18F2N2O/c1-13-8-10-23-12-17(13)18-14(2)9-11-24-19(18)25-16-6-4-15(5-7-16)20(3,21)22/h4-12H,1-3H3
InChIKeyTYCIEVBXYFCJCT-UHFFFAOYSA-N
MW340.37 g/mol
LogP5.66
Rot. Bonds4

About 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine

2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine (PubChem CID 135246403) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine
PubChem CID135246403
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine
SMILESCc1ccncc1-c1c(C)ccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C20H18F2N2O/c1-13-8-10-23-12-17(13)18-14(2)9-11-24-19(18)25-16-6-4-15(5-7-16)20(3,21)22/h4-12H,1-3H3
InChIKeyTYCIEVBXYFCJCT-UHFFFAOYSA-N
XLogP5.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine?
The IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine (CID 135246403) is 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine is Cc1ccncc1-c1c(C)ccnc1Oc1ccc(C(C)(F)F)cc1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine?
The InChIKey is TYCIEVBXYFCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-13-8-10-23-12-17(13)18-14(2)9-11-24-19(18)25-16-6-4-15(5-7-16)20(3,21)22/h4-12H,1-3H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine?
2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine has a molecular weight of 340.37 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)phenoxy]-4-methyl-3-(4-methyl-3-pyridinyl)pyridine is sourced from PubChem (CID 135246403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).