3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol

C12H14Cl2N2O — CID 106995046

IUPAC3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol
SMILESOC1(C2CC2)CN(Cc2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c13-10-4-1-8(11(14)15-10)5-16-6-12(17,7-16)9-2-3-9/h1,4,9,17H,2-3,5-7H2
InChIKeyKOYFXOVHOFTUOJ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.35
Rot. Bonds3

About 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol

3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol (PubChem CID 106995046) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol
PubChem CID106995046
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol
SMILESOC1(C2CC2)CN(Cc2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c13-10-4-1-8(11(14)15-10)5-16-6-12(17,7-16)9-2-3-9/h1,4,9,17H,2-3,5-7H2
InChIKeyKOYFXOVHOFTUOJ-UHFFFAOYSA-N
XLogP2.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.35
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-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
5-[(2,6-dichloro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106994934
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855
4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine
CID 106993529
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 106993757
3-cyclopropyl-1-[(2,6-difluorophenyl)methyl]azetidin-3-ol
CID 114933183

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol (CID 106995046) is 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol is OC1(C2CC2)CN(Cc2ccc(Cl)nc2Cl)C1.
What is the InChIKey of 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol?
The InChIKey is KOYFXOVHOFTUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-10-4-1-8(11(14)15-10)5-16-6-12(17,7-16)9-2-3-9/h1,4,9,17H,2-3,5-7H2.
What are the key properties of 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol?
3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol has a molecular weight of 273.16 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol is sourced from PubChem (CID 106995046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).