1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol

C14H18ClNO — CID 112655798

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESOC(Cc1ccncc1Cl)C1C2CCCCC21
InChIInChI=1S/C14H18ClNO/c15-12-8-16-6-5-9(12)7-13(17)14-10-3-1-2-4-11(10)14/h5-6,8,10-11,13-14,17H,1-4,7H2
InChIKeyXHWKJMPFLLNTML-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.07
Rot. Bonds3

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol

1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol (PubChem CID 112655798) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
PubChem CID112655798
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESOC(Cc1ccncc1Cl)C1C2CCCCC21
InChIInChI=1S/C14H18ClNO/c15-12-8-16-6-5-9(12)7-13(17)14-10-3-1-2-4-11(10)14/h5-6,8,10-11,13-14,17H,1-4,7H2
InChIKeyXHWKJMPFLLNTML-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol with MolForge

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
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
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
4-[2-bromo-2-(oxan-2-yl)ethyl]-3-chloropyridine
CID 112656195
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
2-[1-chloro-2-(3-chloro-4-pyridinyl)ethyl]thiane 1,1-dioxide
CID 113422574
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol (CID 112655798) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol is OC(Cc1ccncc1Cl)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is XHWKJMPFLLNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-8-16-6-5-9(12)7-13(17)14-10-3-1-2-4-11(10)14/h5-6,8,10-11,13-14,17H,1-4,7H2.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol?
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol has a molecular weight of 251.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 112655798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).