[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol

C10H13BrN2O — CID 79718833

IUPAC[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
SMILESCc1cc(Br)cnc1N1CC(CO)C1
InChIInChI=1S/C10H13BrN2O/c1-7-2-9(11)3-12-10(7)13-4-8(5-13)6-14/h2-3,8,14H,4-6H2,1H3
InChIKeyDVNDTDKSDBFASD-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.58
Rot. Bonds2

About [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol

[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol (PubChem CID 79718833) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
PubChem CID79718833
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
SMILESCc1cc(Br)cnc1N1CC(CO)C1
InChIInChI=1S/C10H13BrN2O/c1-7-2-9(11)3-12-10(7)13-4-8(5-13)6-14/h2-3,8,14H,4-6H2,1H3
InChIKeyDVNDTDKSDBFASD-UHFFFAOYSA-N
XLogP1.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.58
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)azetidin-3-yl]methanol?
The IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol (CID 79718833) is [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol is Cc1cc(Br)cnc1N1CC(CO)C1.
What is the InChIKey of [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol?
The InChIKey is DVNDTDKSDBFASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-2-9(11)3-12-10(7)13-4-8(5-13)6-14/h2-3,8,14H,4-6H2,1H3.
What are the key properties of [1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol?
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol has a molecular weight of 257.13 g/mol, XLogP of 1.58, 2 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)azetidin-3-yl]methanol is sourced from PubChem (CID 79718833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).