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

C10H13BrN2O — CID 105367527

IUPAC[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
SMILESCc1cnc(N2CC(CO)C2)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-2-9(11)10(12-3-7)13-4-8(5-13)6-14/h2-3,8,14H,4-6H2,1H3
InChIKeyMFKDBHYUEYCXLW-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.58
Rot. Bonds2

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

[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol (PubChem CID 105367527) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
PubChem CID105367527
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
SMILESCc1cnc(N2CC(CO)C2)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-2-9(11)10(12-3-7)13-4-8(5-13)6-14/h2-3,8,14H,4-6H2,1H3
InChIKeyMFKDBHYUEYCXLW-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-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol (CID 105367527) is [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol is Cc1cnc(N2CC(CO)C2)c(Br)c1.
What is the InChIKey of [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol?
The InChIKey is MFKDBHYUEYCXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-2-9(11)10(12-3-7)13-4-8(5-13)6-14/h2-3,8,14H,4-6H2,1H3.
What are the key properties of [1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol?
[1-(3-bromo-5-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-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol is sourced from PubChem (CID 105367527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).