2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol

C12H17ClN2O — CID 166915054

IUPAC2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol
SMILESC[C@@H]1C(C(C)(C)O)CN1c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O/c1-8-9(12(2,3)16)7-15(8)11-6-4-5-10(13)14-11/h4-6,8-9,16H,7H2,1-3H3/t8-,9?/m1/s1
InChIKeyMGAKHKFFQVHXQA-VEDVMXKPSA-N
MW240.73 g/mol
LogP2.33
Rot. Bonds2

About 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol

2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol (PubChem CID 166915054) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol
PubChem CID166915054
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol
SMILESC[C@@H]1C(C(C)(C)O)CN1c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O/c1-8-9(12(2,3)16)7-15(8)11-6-4-5-10(13)14-11/h4-6,8-9,16H,7H2,1-3H3/t8-,9?/m1/s1
InChIKeyMGAKHKFFQVHXQA-VEDVMXKPSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol with MolForge

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Related Compounds

tert-butyl (5R)-4-(6-chloro-2-pyridinyl)-5,6-dimethyl-1,4-diazepane-1-carboxylate
CID 167093707
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 63588413
1-(6-chloro-2-pyridinyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474899
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66372105
2-(5-tert-butylpyrazol-1-yl)-6-chloropyridine
CID 84797851
methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate
CID 169209317
1-[4-[(6-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79038456
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
1-[1-(6-chloro-2-pyridinyl)azetidin-3-yl]-N,N-dimethylmethanamine;oxalic acid
CID 23369524
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol (CID 166915054) is 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol is C[C@@H]1C(C(C)(C)O)CN1c1cccc(Cl)n1.
What is the InChIKey of 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol?
The InChIKey is MGAKHKFFQVHXQA-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-9(12(2,3)16)7-15(8)11-6-4-5-10(13)14-11/h4-6,8-9,16H,7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol?
2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol has a molecular weight of 240.73 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol is sourced from PubChem (CID 166915054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).