1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol

C12H15BrN2O — CID 106545780

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol
SMILESCc1nc(N2CC(O)(C3CC3)C2)ccc1Br
InChIInChI=1S/C12H15BrN2O/c1-8-10(13)4-5-11(14-8)15-6-12(16,7-15)9-2-3-9/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyASWMFRCLJLLXCA-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol

1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol (PubChem CID 106545780) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol
PubChem CID106545780
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol
SMILESCc1nc(N2CC(O)(C3CC3)C2)ccc1Br
InChIInChI=1S/C12H15BrN2O/c1-8-10(13)4-5-11(14-8)15-6-12(16,7-15)9-2-3-9/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyASWMFRCLJLLXCA-UHFFFAOYSA-N
XLogP2.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-(3,3-difluoroazetidin-1-yl)-2-methylpyridine
CID 154827607
1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
CID 75487705
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629
methyl N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113413422
4-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479522
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133451492
4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989600
4-(5-bromo-6-methyl-2-pyridinyl)-1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 133452010

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol (CID 106545780) is 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol is Cc1nc(N2CC(O)(C3CC3)C2)ccc1Br.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol?
The InChIKey is ASWMFRCLJLLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-10(13)4-5-11(14-8)15-6-12(16,7-15)9-2-3-9/h4-5,9,16H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol?
1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol has a molecular weight of 283.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 106545780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).