(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C14H17FN2O2 — CID 171943837

IUPAC(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCc1cc(F)cnc1C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C14H17FN2O2/c1-8-2-10(15)5-16-13(8)14(18)9-3-11-6-19-7-12(4-9)17-11/h2,5,9,11-12,17H,3-4,6-7H2,1H3
InChIKeyYNLRZKRQQNUHBQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.48
Rot. Bonds2

About (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171943837) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171943837
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCc1cc(F)cnc1C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C14H17FN2O2/c1-8-2-10(15)5-16-13(8)14(18)9-3-11-6-19-7-12(4-9)17-11/h2,5,9,11-12,17H,3-4,6-7H2,1H3
InChIKeyYNLRZKRQQNUHBQ-UHFFFAOYSA-N
XLogP1.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171943837) is (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is Cc1cc(F)cnc1C(=O)C1CC2COCC(C1)N2.
What is the InChIKey of (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is YNLRZKRQQNUHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8-2-10(15)5-16-13(8)14(18)9-3-11-6-19-7-12(4-9)17-11/h2,5,9,11-12,17H,3-4,6-7H2,1H3.
What are the key properties of (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171943837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).