[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol

C14H19BrN2O — CID 114196715

IUPAC[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1N1CC2CCCC(C2)C1
InChIInChI=1S/C14H19BrN2O/c15-13-5-12(9-18)14(16-6-13)17-7-10-2-1-3-11(4-10)8-17/h5-6,10-11,18H,1-4,7-9H2
InChIKeyIECVRMRIVVPZDI-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.96
Rot. Bonds2

About [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol

[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol (PubChem CID 114196715) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol
PubChem CID114196715
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1N1CC2CCCC(C2)C1
InChIInChI=1S/C14H19BrN2O/c15-13-5-12(9-18)14(16-6-13)17-7-10-2-1-3-11(4-10)8-17/h5-6,10-11,18H,1-4,7-9H2
InChIKeyIECVRMRIVVPZDI-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol
CID 103501414
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 106588323
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
[5-bromo-2-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methanol
CID 55078218
[5-bromo-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methanol
CID 79935278
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine
CID 115562108
(5-bromo-2-cyclopentyloxy-3-pyridinyl)methanol
CID 62000006
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloropyridin-3-amine
CID 114196253
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423

Frequently Asked Questions

What is the IUPAC name of [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol?
The IUPAC name of [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol (CID 114196715) is [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol?
The canonical SMILES for [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol is OCc1cc(Br)cnc1N1CC2CCCC(C2)C1.
What is the InChIKey of [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol?
The InChIKey is IECVRMRIVVPZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-5-12(9-18)14(16-6-13)17-7-10-2-1-3-11(4-10)8-17/h5-6,10-11,18H,1-4,7-9H2.
What are the key properties of [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol?
[2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol has a molecular weight of 311.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-3-pyridinyl]methanol is sourced from PubChem (CID 114196715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).