6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine

C17H14F3N3O — CID 162719391

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine
SMILESCOc1nc(-c2ccc(F)c(C(F)F)c2)ccc1Cn1cccn1
InChIInChI=1S/C17H14F3N3O/c1-24-17-12(10-23-8-2-7-21-23)4-6-15(22-17)11-3-5-14(18)13(9-11)16(19)20/h2-9,16H,10H2,1H3
InChIKeyMLRROOLKCQIFJW-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.08
Rot. Bonds5

About 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine

6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine (PubChem CID 162719391) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine
PubChem CID162719391
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine
SMILESCOc1nc(-c2ccc(F)c(C(F)F)c2)ccc1Cn1cccn1
InChIInChI=1S/C17H14F3N3O/c1-24-17-12(10-23-8-2-7-21-23)4-6-15(22-17)11-3-5-14(18)13(9-11)16(19)20/h2-9,16H,10H2,1H3
InChIKeyMLRROOLKCQIFJW-UHFFFAOYSA-N
XLogP4.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine (CID 162719391) is 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine is COc1nc(-c2ccc(F)c(C(F)F)c2)ccc1Cn1cccn1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is MLRROOLKCQIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-24-17-12(10-23-8-2-7-21-23)4-6-15(22-17)11-3-5-14(18)13(9-11)16(19)20/h2-9,16H,10H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 333.31 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-2-methoxy-3-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 162719391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).