1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol

C10H13BrN2O — CID 106876353

IUPAC1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
SMILESCc1ccnc(N2CC(C)(O)C2)c1Br
InChIInChI=1S/C10H13BrN2O/c1-7-3-4-12-9(8(7)11)13-5-10(2,14)6-13/h3-4,14H,5-6H2,1-2H3
InChIKeyYFLVHZKYQISVIH-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.72
Rot. Bonds1

About 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol

1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol (PubChem CID 106876353) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
PubChem CID106876353
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
SMILESCc1ccnc(N2CC(C)(O)C2)c1Br
InChIInChI=1S/C10H13BrN2O/c1-7-3-4-12-9(8(7)11)13-5-10(2,14)6-13/h3-4,14H,5-6H2,1-2H3
InChIKeyYFLVHZKYQISVIH-UHFFFAOYSA-N
XLogP1.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol (CID 106876353) is 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol is Cc1ccnc(N2CC(C)(O)C2)c1Br.
What is the InChIKey of 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol?
The InChIKey is YFLVHZKYQISVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-3-4-12-9(8(7)11)13-5-10(2,14)6-13/h3-4,14H,5-6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol?
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol has a molecular weight of 257.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 106876353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).