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

C15H19FN2O — CID 171950538

IUPAC(6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1cccc(F)n1)C2
InChIInChI=1S/C15H19FN2O/c1-18-11-4-2-5-12(18)9-10(8-11)15(19)13-6-3-7-14(16)17-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyWUXAJDBTMCVFRA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.67
Rot. Bonds2

About (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

(6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171950538) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171950538
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1cccc(F)n1)C2
InChIInChI=1S/C15H19FN2O/c1-18-11-4-2-5-12(18)9-10(8-11)15(19)13-6-3-7-14(16)17-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyWUXAJDBTMCVFRA-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

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Related Compounds

cyclopropyl-(6-fluoro-2-pyridinyl)methanone
CID 134465722
(6-fluoro-2-methyl-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943854
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(6-fluoro-2-pyridinyl)methanone
CID 171950536
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone
CID 171942184
[2,6-bis(trifluoromethyl)phenyl]-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939658
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-fluoro-2-pyridinyl)methanone
CID 171950548
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
(6-fluoro-2-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 113323648
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
(4-fluoro-2-methylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945077

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171950538) is (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is CN1C2CCCC1CC(C(=O)c1cccc(F)n1)C2.
What is the InChIKey of (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is WUXAJDBTMCVFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18-11-4-2-5-12(18)9-10(8-11)15(19)13-6-3-7-14(16)17-13/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
(6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 262.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171950538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).