1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol

C13H16ClNO — CID 112655734

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESOC(Cc1ccncc1Cl)C1C2CCCC21
InChIInChI=1S/C13H16ClNO/c14-11-7-15-5-4-8(11)6-12(16)13-9-2-1-3-10(9)13/h4-5,7,9-10,12-13,16H,1-3,6H2
InChIKeyYLMVPPKZCGWCDQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.68
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol (PubChem CID 112655734) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
PubChem CID112655734
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESOC(Cc1ccncc1Cl)C1C2CCCC21
InChIInChI=1S/C13H16ClNO/c14-11-7-15-5-4-8(11)6-12(16)13-9-2-1-3-10(9)13/h4-5,7,9-10,12-13,16H,1-3,6H2
InChIKeyYLMVPPKZCGWCDQ-UHFFFAOYSA-N
XLogP2.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481
1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986580
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 115345875
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083
2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 112655719
4-[2-bromo-2-(oxan-2-yl)ethyl]-3-chloropyridine
CID 112656195

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol (CID 112655734) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol is OC(Cc1ccncc1Cl)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is YLMVPPKZCGWCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-7-15-5-4-8(11)6-12(16)13-9-2-1-3-10(9)13/h4-5,7,9-10,12-13,16H,1-3,6H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol?
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol has a molecular weight of 237.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 112655734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).