1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol

C16H23NO — CID 135009722

IUPAC1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCc1cccc(C2(O)C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C16H23NO/c1-11-6-5-7-13(17-11)16(18)14(2,3)12-8-9-15(16,4)10-12/h5-7,12,18H,8-10H2,1-4H3
InChIKeyWCIMQLIUWARHOK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.42
Rot. Bonds1

About 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 135009722) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID135009722
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCc1cccc(C2(O)C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C16H23NO/c1-11-6-5-7-13(17-11)16(18)14(2,3)12-8-9-15(16,4)10-12/h5-7,12,18H,8-10H2,1-4H3
InChIKeyWCIMQLIUWARHOK-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol 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

1,7,7-Trimethyl-2-(2-pyridyl)bicyclo(2.2.1)heptan-2-ol
CID 15553738
(1S,2S,5R)-1-(6-bromo-2-pyridinyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 100993923
(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993925
1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
(1R,2R,4S)-1,3,3-Trimethyl-2-(2-pyridyl)bicyclo[2.2.1]heptane-2-ol
CID 11734622
2-[6-(4-Fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
CID 122501515
(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10983406
5-Methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexan-1-ol
CID 14933346
5-Methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol
CID 15553737
(1R,2R,4S)-2-(6-bromo-2-pyridinyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 23659151
1-(6-Butyl-2-pyridinyl)-1-phenylethanol
CID 44475468
(1S,2S,4R)-1,3,3-trimethyl-2-[2-(6-phenyl-2-pyridinyl)phenyl]bicyclo[2.2.1]heptan-2-ol
CID 50940588

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol (CID 135009722) is 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol is Cc1cccc(C2(O)C3(C)CCC(C3)C2(C)C)n1.
What is the InChIKey of 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is WCIMQLIUWARHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-6-5-7-13(17-11)16(18)14(2,3)12-8-9-15(16,4)10-12/h5-7,12,18H,8-10H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 135009722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).