1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol

C8H8Cl2N2O — CID 130682729

IUPAC1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol
SMILESOC1CN(c2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C8H8Cl2N2O/c9-6-1-2-7(10)11-8(6)12-3-5(13)4-12/h1-2,5,13H,3-4H2
InChIKeyJKOMCSTYFSLCFG-UHFFFAOYSA-N
MW219.07 g/mol
LogP1.57
Rot. Bonds1

About 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol

1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol (PubChem CID 130682729) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol
PubChem CID130682729
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol
SMILESOC1CN(c2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C8H8Cl2N2O/c9-6-1-2-7(10)11-8(6)12-3-5(13)4-12/h1-2,5,13H,3-4H2
InChIKeyJKOMCSTYFSLCFG-UHFFFAOYSA-N
XLogP1.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 51.57
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-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol
CID 133314105
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile
CID 170420302
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115474177
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
1-(3,9-dichloro-8-ethyl-6,7-dihydro-5H-cyclohepta[c]pyridin-1-yl)azetidin-3-ol
CID 123842513
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol?
The IUPAC name of 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol (CID 130682729) is 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol.
What is the SMILES notation for 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol?
The canonical SMILES for 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol is OC1CN(c2nc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol?
The InChIKey is JKOMCSTYFSLCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c9-6-1-2-7(10)11-8(6)12-3-5(13)4-12/h1-2,5,13H,3-4H2.
What are the key properties of 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol?
1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol has a molecular weight of 219.07 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol is sourced from PubChem (CID 130682729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).