[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol

C11H13ClN2O — CID 156825866

IUPAC[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3CC3C2)nc1Cl
InChIInChI=1S/C11H13ClN2O/c12-11-7(6-15)1-2-10(13-11)14-4-8-3-9(8)5-14/h1-2,8-9,15H,3-6H2
InChIKeyVBUBFHFSMSQROQ-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.68
Rot. Bonds2

About [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol (PubChem CID 156825866) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
PubChem CID156825866
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3CC3C2)nc1Cl
InChIInChI=1S/C11H13ClN2O/c12-11-7(6-15)1-2-10(13-11)14-4-8-3-9(8)5-14/h1-2,8-9,15H,3-6H2
InChIKeyVBUBFHFSMSQROQ-UHFFFAOYSA-N
XLogP1.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
CID 166716344
3-[6-chloro-5-(2-nitroethyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 156826538
[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
CID 156825890
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine
CID 163413623
potassium;carbanide;3-(6-chloro-5-ethenyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;methylazanide
CID 156826352
N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]ethylidene]hydroxylamine
CID 158318415
[3-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 153453437
[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
CID 156825854
3-[6-bromo-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166747106
3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]-N-[(4R)-1,4,5,6-tetrahydrocyclopenta[d]imidazol-4-yl]-1,2-oxazole-5-carboxamide
CID 160881362
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776

Frequently Asked Questions

What is the IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol?
The IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol (CID 156825866) is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol?
The canonical SMILES for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol is OCc1ccc(N2CC3CC3C2)nc1Cl.
What is the InChIKey of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol?
The InChIKey is VBUBFHFSMSQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-11-7(6-15)1-2-10(13-11)14-4-8-3-9(8)5-14/h1-2,8-9,15H,3-6H2.
What are the key properties of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol?
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol has a molecular weight of 224.69 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol is sourced from PubChem (CID 156825866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).