2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C12H12FN3O — CID 162760628

IUPAC2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC1Cn2nc(-c3ccc(F)cn3)cc2CO1
InChIInChI=1S/C12H12FN3O/c1-8-6-16-10(7-17-8)4-12(15-16)11-3-2-9(13)5-14-11/h2-5,8H,6-7H2,1H3
InChIKeyPYIGAUGEJSRQOV-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.00
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760628) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760628
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC1Cn2nc(-c3ccc(F)cn3)cc2CO1
InChIInChI=1S/C12H12FN3O/c1-8-6-16-10(7-17-8)4-12(15-16)11-3-2-9(13)5-14-11/h2-5,8H,6-7H2,1H3
InChIKeyPYIGAUGEJSRQOV-UHFFFAOYSA-N
XLogP2.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760628) is 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CC1Cn2nc(-c3ccc(F)cn3)cc2CO1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is PYIGAUGEJSRQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-6-16-10(7-17-8)4-12(15-16)11-3-2-9(13)5-14-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 233.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).