2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol

C16H20ClNO — CID 15442371

IUPAC2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol
SMILESOC1(C(Cl)c2ccccn2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20ClNO/c17-15(14-3-1-2-4-18-14)16(19)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,15,19H,5-9H2
InChIKeyHGJHHLTWZDJAPB-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.55
Rot. Bonds2

About 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol

2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol (PubChem CID 15442371) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol
PubChem CID15442371
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol
SMILESOC1(C(Cl)c2ccccn2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20ClNO/c17-15(14-3-1-2-4-18-14)16(19)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,15,19H,5-9H2
InChIKeyHGJHHLTWZDJAPB-UHFFFAOYSA-N
XLogP3.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

alpha,alpha-Dicyclohexyl-2-pyridineethanol hydrochloride
CID 134823876
2-(3-Pyridinyl) 2-adamantanol
CID 86216837
1,1-Dicyclohexyl-2-(pyridin-2-yl)ethan-1-ol
CID 20348863
2-[(6-Methyl-2-pyridinyl)methyl]adamantan-2-ol
CID 10777551
2-Pyridin-2-yladamantan-2-ol
CID 11218455
2-[[6-[(2-Hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol
CID 11373167
Lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate
CID 134843195
2-(Pyridin-2-ylmethyl)adamantan-2-ol
CID 10514395
(2-Pyridin-2-yl-2-bicyclo[2.2.2]octanyl)methanol
CID 141738854
9-pyridin-2-yl-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-ol
CID 145814867
10-Pyridin-2-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-ol
CID 145814869
trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol
CID 146290801

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol?
The IUPAC name of 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol (CID 15442371) is 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol?
The canonical SMILES for 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol is OC1(C(Cl)c2ccccn2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol?
The InChIKey is HGJHHLTWZDJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-15(14-3-1-2-4-18-14)16(19)12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,15,19H,5-9H2.
What are the key properties of 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol?
2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol has a molecular weight of 277.79 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(pyridin-2-yl)methyl]adamantan-2-ol is sourced from PubChem (CID 15442371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).