[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol

C11H15BrN2O2 — CID 105367532

IUPAC[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
SMILESCc1cnc(N2CCOC(CO)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8-4-10(12)11(13-5-8)14-2-3-16-9(6-14)7-15/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyIUNKCJCGKPETJF-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.35
Rot. Bonds2

About [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol

[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol (PubChem CID 105367532) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
PubChem CID105367532
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
SMILESCc1cnc(N2CCOC(CO)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-8-4-10(12)11(13-5-8)14-2-3-16-9(6-14)7-15/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyIUNKCJCGKPETJF-UHFFFAOYSA-N
XLogP1.35
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol (CID 105367532) is [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol is Cc1cnc(N2CCOC(CO)C2)c(Br)c1.
What is the InChIKey of [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is IUNKCJCGKPETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-4-10(12)11(13-5-8)14-2-3-16-9(6-14)7-15/h4-5,9,15H,2-3,6-7H2,1H3.
What are the key properties of [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol?
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 287.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 105367532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).