2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol

C14H17BrN2O — CID 155406280

IUPAC2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol
SMILESCC1C=C2CC(O)(CCN2c2ccc(Br)cn2)C1
InChIInChI=1S/C14H17BrN2O/c1-10-6-12-8-14(18,7-10)4-5-17(12)13-3-2-11(15)9-16-13/h2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyDBTYEJPYFFMSFG-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.10
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol

2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol (PubChem CID 155406280) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol
PubChem CID155406280
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol
SMILESCC1C=C2CC(O)(CCN2c2ccc(Br)cn2)C1
InChIInChI=1S/C14H17BrN2O/c1-10-6-12-8-14(18,7-10)4-5-17(12)13-3-2-11(15)9-16-13/h2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyDBTYEJPYFFMSFG-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol with MolForge

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Related Compounds

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5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
CID 63218652
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
1-(5-bromo-2-pyridinyl)-4-methylazepane
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1-(5-bromo-2-pyridinyl)-3-fluoropyrrolidin-2-one
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tert-butyl 4-(5-bromo-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 66863540
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128977056
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
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1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
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5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol (CID 155406280) is 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol is CC1C=C2CC(O)(CCN2c2ccc(Br)cn2)C1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol?
The InChIKey is DBTYEJPYFFMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10-6-12-8-14(18,7-10)4-5-17(12)13-3-2-11(15)9-16-13/h2-3,6,9-10,18H,4-5,7-8H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol?
2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol has a molecular weight of 309.21 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-7-methyl-2-azabicyclo[3.3.1]non-1(8)-en-5-ol is sourced from PubChem (CID 155406280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).