ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine

C11H13F3N2O — CID 167522108

IUPACethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine
SMILESCC.Cc1cnn2cccc(OC(F)(F)F)c12
InChIInChI=1S/C9H7F3N2O.C2H6/c1-6-5-13-14-4-2-3-7(8(6)14)15-9(10,11)12;1-2/h2-5H,1H3;1-2H3
InChIKeyOVISGRDTBFUDGT-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.57
Rot. Bonds1

About ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine

ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine (PubChem CID 167522108) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine
PubChem CID167522108
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Nameethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine
SMILESCC.Cc1cnn2cccc(OC(F)(F)F)c12
InChIInChI=1S/C9H7F3N2O.C2H6/c1-6-5-13-14-4-2-3-7(8(6)14)15-9(10,11)12;1-2/h2-5H,1H3;1-2H3
InChIKeyOVISGRDTBFUDGT-UHFFFAOYSA-N
XLogP3.57
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine?
The IUPAC name of ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine (CID 167522108) is ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine?
The canonical SMILES for ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine is CC.Cc1cnn2cccc(OC(F)(F)F)c12.
What is the InChIKey of ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine?
The InChIKey is OVISGRDTBFUDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O.C2H6/c1-6-5-13-14-4-2-3-7(8(6)14)15-9(10,11)12;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine?
ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine has a molecular weight of 246.23 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-(trifluoromethoxy)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167522108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).