4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

C14H14F2N2O — CID 118706957

IUPAC4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILESFC1(F)CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C14H14F2N2O/c15-14(16)7-4-8-18-13(14)9-11(17-18)10-19-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2
InChIKeySNLKWQLCKVFTJP-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.35
Rot. Bonds3

About 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (PubChem CID 118706957) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
PubChem CID118706957
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILESFC1(F)CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C14H14F2N2O/c15-14(16)7-4-8-18-13(14)9-11(17-18)10-19-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2
InChIKeySNLKWQLCKVFTJP-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (CID 118706957) is 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is FC1(F)CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The InChIKey is SNLKWQLCKVFTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-14(16)7-4-8-18-13(14)9-11(17-18)10-19-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2.
What are the key properties of 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine has a molecular weight of 264.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118706957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).