1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol

C10H12Cl2N2O — CID 116519896

IUPAC1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2cnc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O/c1-10(15)5-14(6-10)4-7-3-13-9(12)2-8(7)11/h2-3,15H,4-6H2,1H3
InChIKeyCIHPFUWAEOQCIV-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.96
Rot. Bonds2

About 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol

1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol (PubChem CID 116519896) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol
PubChem CID116519896
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2cnc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O/c1-10(15)5-14(6-10)4-7-3-13-9(12)2-8(7)11/h2-3,15H,4-6H2,1H3
InChIKeyCIHPFUWAEOQCIV-UHFFFAOYSA-N
XLogP1.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.96
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

2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 116518981
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 116519047
2,4-dichloro-5-[(4-methoxypiperidin-1-yl)methyl]pyridine
CID 116518803
1-[(4,6-dichloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 116518761
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 116518828
4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde
CID 153331906
[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 116519780
dideuterio-(4,6-dichloro-3-pyridinyl)methanol
CID 171364953
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol
CID 170577005
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
CID 107886027
ethyl (3R)-1-[(4,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104889125
2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine
CID 116519118

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol (CID 116519896) is 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol is CC1(O)CN(Cc2cnc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol?
The InChIKey is CIHPFUWAEOQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-10(15)5-14(6-10)4-7-3-13-9(12)2-8(7)11/h2-3,15H,4-6H2,1H3.
What are the key properties of 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol?
1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol has a molecular weight of 247.12 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dichloro-3-pyridinyl)methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 116519896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).