8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

C16H20BrNO — CID 104801466

IUPAC8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(Cc2ccc(Br)cn2)CC2CC1C1CCCC21
InChIInChI=1S/C16H20BrNO/c17-11-4-5-12(18-9-11)8-16(19)7-10-6-15(16)14-3-1-2-13(10)14/h4-5,9-10,13-15,19H,1-3,6-8H2
InChIKeyFTWLKIMJRAVDDB-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.57
Rot. Bonds2

About 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol

8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (PubChem CID 104801466) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.

Molecular Properties

Compound Name8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
PubChem CID104801466
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
SMILESOC1(Cc2ccc(Br)cn2)CC2CC1C1CCCC21
InChIInChI=1S/C16H20BrNO/c17-11-4-5-12(18-9-11)8-16(19)7-10-6-15(16)14-3-1-2-13(10)14/h4-5,9-10,13-15,19H,1-3,6-8H2
InChIKeyFTWLKIMJRAVDDB-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The IUPAC name of 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol (CID 104801466) is 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol.
What is the SMILES notation for 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The canonical SMILES for 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is OC1(Cc2ccc(Br)cn2)CC2CC1C1CCCC21.
What is the InChIKey of 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
The InChIKey is FTWLKIMJRAVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-11-4-5-12(18-9-11)8-16(19)7-10-6-15(16)14-3-1-2-13(10)14/h4-5,9-10,13-15,19H,1-3,6-8H2.
What are the key properties of 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol?
8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol has a molecular weight of 322.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-pyridinyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol is sourced from PubChem (CID 104801466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).