3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

C14H19FN2O — CID 171957997

IUPAC3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1nc(C2(O)CC3CCCC(C2)N3)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9-12(15)5-6-13(16-9)14(18)7-10-3-2-4-11(8-14)17-10/h5-6,10-11,17-18H,2-4,7-8H2,1H3
InChIKeyDDVBCZUSVXQQHN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.02
Rot. Bonds1

About 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171957997) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171957997
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1nc(C2(O)CC3CCCC(C2)N3)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9-12(15)5-6-13(16-9)14(18)7-10-3-2-4-11(8-14)17-10/h5-6,10-11,17-18H,2-4,7-8H2,1H3
InChIKeyDDVBCZUSVXQQHN-UHFFFAOYSA-N
XLogP2.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961833
3-(2,3,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962539
3-[(3-fluoro-4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962227
3-[3-(trifluoromethyl)-2-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954470
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
3-(7-fluoroquinolin-6-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962848
3-(2-methyl-1,3-benzoxazol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955950
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961519
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
4,5-difluoro-2-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171954047
3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63588116
3-isoquinolin-4-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956096

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171957997) is 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is Cc1nc(C2(O)CC3CCCC(C2)N3)ccc1F.
What is the InChIKey of 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is DDVBCZUSVXQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-12(15)5-6-13(16-9)14(18)7-10-3-2-4-11(8-14)17-10/h5-6,10-11,17-18H,2-4,7-8H2,1H3.
What are the key properties of 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 250.32 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methyl-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171957997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).