ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

C13H24F2N2 — CID 168880317

IUPACethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILESCC.CC.CCc1cc2n(n1)CCCC2(F)F
InChIInChI=1S/C9H12F2N2.2C2H6/c1-2-7-6-8-9(10,11)4-3-5-13(8)12-7;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyZRGROPKFWDJBLE-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.38
Rot. Bonds1

About ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (PubChem CID 168880317) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
PubChem CID168880317
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Nameethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILESCC.CC.CCc1cc2n(n1)CCCC2(F)F
InChIInChI=1S/C9H12F2N2.2C2H6/c1-2-7-6-8-9(10,11)4-3-5-13(8)12-7;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyZRGROPKFWDJBLE-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The IUPAC name of ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (CID 168880317) is ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is CC.CC.CCc1cc2n(n1)CCCC2(F)F.
What is the InChIKey of ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The InChIKey is ZRGROPKFWDJBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2.2C2H6/c1-2-7-6-8-9(10,11)4-3-5-13(8)12-7;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine has a molecular weight of 246.34 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 168880317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).