3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C11H10FN3O — CID 162760077

IUPAC3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2cnn3c2COCC3)nc1
InChIInChI=1S/C11H10FN3O/c12-8-1-2-10(13-5-8)9-6-14-15-3-4-16-7-11(9)15/h1-2,5-6H,3-4,7H2
InChIKeyMLEZWCJFMYUSCP-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.61
Rot. Bonds1

About 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760077) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760077
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2cnn3c2COCC3)nc1
InChIInChI=1S/C11H10FN3O/c12-8-1-2-10(13-5-8)9-6-14-15-3-4-16-7-11(9)15/h1-2,5-6H,3-4,7H2
InChIKeyMLEZWCJFMYUSCP-UHFFFAOYSA-N
XLogP1.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760077) is 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Fc1ccc(-c2cnn3c2COCC3)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is MLEZWCJFMYUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-8-1-2-10(13-5-8)9-6-14-15-3-4-16-7-11(9)15/h1-2,5-6H,3-4,7H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 219.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).