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

C19H16F2N2O2 — CID 126714582

IUPAC2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H16F2N2O2/c1-19(20,21)13-7-9-14(10-8-13)25-18-16(6-4-12-23-18)15-5-3-11-22-17(15)24-2/h3-12H,1-2H3
InChIKeyQGCWULZCXXAKJQ-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.06
Rot. Bonds5

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

2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine (PubChem CID 126714582) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine
PubChem CID126714582
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine
SMILESCOc1ncccc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H16F2N2O2/c1-19(20,21)13-7-9-14(10-8-13)25-18-16(6-4-12-23-18)15-5-3-11-22-17(15)24-2/h3-12H,1-2H3
InChIKeyQGCWULZCXXAKJQ-UHFFFAOYSA-N
XLogP5.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine?
The IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine (CID 126714582) is 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine is COc1ncccc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine?
The InChIKey is QGCWULZCXXAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-19(20,21)13-7-9-14(10-8-13)25-18-16(6-4-12-23-18)15-5-3-11-22-17(15)24-2/h3-12H,1-2H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine?
2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine has a molecular weight of 342.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)phenoxy]-3-(2-methoxy-3-pyridinyl)pyridine is sourced from PubChem (CID 126714582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).