1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol

C12H17BrN2O — CID 79718642

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C12H17BrN2O/c1-3-4-12(16)7-15(8-12)11-9(2)5-10(13)6-14-11/h5-6,16H,3-4,7-8H2,1-2H3
InChIKeyFGZNLOYLXYSKGP-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.50
Rot. Bonds3

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

1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol (PubChem CID 79718642) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol
PubChem CID79718642
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C12H17BrN2O/c1-3-4-12(16)7-15(8-12)11-9(2)5-10(13)6-14-11/h5-6,16H,3-4,7-8H2,1-2H3
InChIKeyFGZNLOYLXYSKGP-UHFFFAOYSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol (CID 79718642) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol is CCCC1(O)CN(c2ncc(Br)cc2C)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol?
The InChIKey is FGZNLOYLXYSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-4-12(16)7-15(8-12)11-9(2)5-10(13)6-14-11/h5-6,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol?
1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol has a molecular weight of 285.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-3-propylazetidin-3-ol is sourced from PubChem (CID 79718642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).