2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine

C16H11ClF3N3O — CID 175294474

IUPAC2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
SMILESFc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C16H11ClF3N3O/c17-12-3-2-11(7-14(12)24-16(19)20)15-13(18)6-10(8-21-15)9-23-5-1-4-22-23/h1-8,16H,9H2
InChIKeyJLOXNLSHEHVECT-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.39
Rot. Bonds5

About 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine

2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine (PubChem CID 175294474) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
PubChem CID175294474
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
SMILESFc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C16H11ClF3N3O/c17-12-3-2-11(7-14(12)24-16(19)20)15-13(18)6-10(8-21-15)9-23-5-1-4-22-23/h1-8,16H,9H2
InChIKeyJLOXNLSHEHVECT-UHFFFAOYSA-N
XLogP4.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine (CID 175294474) is 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine is Fc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is JLOXNLSHEHVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-12-3-2-11(7-14(12)24-16(19)20)15-13(18)6-10(8-21-15)9-23-5-1-4-22-23/h1-8,16H,9H2.
What are the key properties of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine?
2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 353.73 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 175294474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).