2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine

C10H9F2N3O — CID 58840938

IUPAC2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine
SMILESCc1cc(OC(F)F)nn1-c1ccccn1
InChIInChI=1S/C10H9F2N3O/c1-7-6-9(16-10(11)12)14-15(7)8-4-2-3-5-13-8/h2-6,10H,1H3
InChIKeyLBOHHBNFMPDYIB-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.18
Rot. Bonds3

About 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine

2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine (PubChem CID 58840938) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine
PubChem CID58840938
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine
SMILESCc1cc(OC(F)F)nn1-c1ccccn1
InChIInChI=1S/C10H9F2N3O/c1-7-6-9(16-10(11)12)14-15(7)8-4-2-3-5-13-8/h2-6,10H,1H3
InChIKeyLBOHHBNFMPDYIB-UHFFFAOYSA-N
XLogP2.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine (CID 58840938) is 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine is Cc1cc(OC(F)F)nn1-c1ccccn1.
What is the InChIKey of 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine?
The InChIKey is LBOHHBNFMPDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-7-6-9(16-10(11)12)14-15(7)8-4-2-3-5-13-8/h2-6,10H,1H3.
What are the key properties of 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine?
2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine has a molecular weight of 225.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]pyridine is sourced from PubChem (CID 58840938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).