2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol

C16H24ClNO — CID 112655719

IUPAC2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
SMILESCC(C)CC1(C(O)Cc2ccncc2Cl)CCCC1
InChIInChI=1S/C16H24ClNO/c1-12(2)10-16(6-3-4-7-16)15(19)9-13-5-8-18-11-14(13)17/h5,8,11-12,15,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyMNQNJWYTDIQKRK-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol

2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol (PubChem CID 112655719) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
PubChem CID112655719
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
SMILESCC(C)CC1(C(O)Cc2ccncc2Cl)CCCC1
InChIInChI=1S/C16H24ClNO/c1-12(2)10-16(6-3-4-7-16)15(19)9-13-5-8-18-11-14(13)17/h5,8,11-12,15,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyMNQNJWYTDIQKRK-UHFFFAOYSA-N
XLogP4.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940
2-(3-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 102867488
2-(2-chloro-3-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115831198
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
3-chloro-4-(2-chloro-4,5,5-trimethylhexyl)pyridine
CID 112655993
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243834
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-ol
CID 113460152
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol (CID 112655719) is 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol is CC(C)CC1(C(O)Cc2ccncc2Cl)CCCC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
The InChIKey is MNQNJWYTDIQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)10-16(6-3-4-7-16)15(19)9-13-5-8-18-11-14(13)17/h5,8,11-12,15,19H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol?
2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol has a molecular weight of 281.83 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol is sourced from PubChem (CID 112655719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).