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

C19H15F3N2O — CID 126714411

IUPAC2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine
SMILESCc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1F
InChIInChI=1S/C19H15F3N2O/c1-12-7-9-23-11-15(12)14-4-3-8-24-18(14)25-17-6-5-13(10-16(17)20)19(2,21)22/h3-11H,1-2H3
InChIKeyIAINXCLOQYSZIM-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.50
Rot. Bonds4

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

2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine (PubChem CID 126714411) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine
PubChem CID126714411
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine
SMILESCc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1F
InChIInChI=1S/C19H15F3N2O/c1-12-7-9-23-11-15(12)14-4-3-8-24-18(14)25-17-6-5-13(10-16(17)20)19(2,21)22/h3-11H,1-2H3
InChIKeyIAINXCLOQYSZIM-UHFFFAOYSA-N
XLogP5.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.50
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)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine (CID 126714411) is 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine is Cc1ccncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1F.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine?
The InChIKey is IAINXCLOQYSZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-12-7-9-23-11-15(12)14-4-3-8-24-18(14)25-17-6-5-13(10-16(17)20)19(2,21)22/h3-11H,1-2H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine?
2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine has a molecular weight of 344.34 g/mol, XLogP of 5.50, 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)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine is sourced from PubChem (CID 126714411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).