3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol

C10H14BrNO3 — CID 171860100

IUPAC3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
SMILESCOc1ccc(C(O)C(O)CBr)c(C)n1
InChIInChI=1S/C10H14BrNO3/c1-6-7(10(14)8(13)5-11)3-4-9(12-6)15-2/h3-4,8,10,13-14H,5H2,1-2H3
InChIKeyGLSDJTFOQFTIHK-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.19
Rot. Bonds4

About 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol

3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol (PubChem CID 171860100) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
PubChem CID171860100
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
SMILESCOc1ccc(C(O)C(O)CBr)c(C)n1
InChIInChI=1S/C10H14BrNO3/c1-6-7(10(14)8(13)5-11)3-4-9(12-6)15-2/h3-4,8,10,13-14H,5H2,1-2H3
InChIKeyGLSDJTFOQFTIHK-UHFFFAOYSA-N
XLogP1.19
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
1-(3-amino-6-methoxy-2-pyridinyl)-3-bromopropane-1,2-diol
CID 171859985
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
3-amino-3-(6-methoxy-2-methyl-3-pyridinyl)propan-1-ol
CID 55269648
1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872771
4-chloro-1-(2,6-dimethoxy-3-pyridinyl)butane-1,2-diol
CID 171894271
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
3-bromo-1-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 171860275
(2,6-dimethoxy-3-pyridinyl)methanediol
CID 134064056
cyclopropyl-(6-methoxy-2-methyl-3-pyridinyl)methanamine
CID 55296471
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
3-bromo-1-(2-bromo-5-methoxyphenyl)propane-1,2-diol
CID 171861209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol (CID 171860100) is 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol is COc1ccc(C(O)C(O)CBr)c(C)n1.
What is the InChIKey of 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol?
The InChIKey is GLSDJTFOQFTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6-7(10(14)8(13)5-11)3-4-9(12-6)15-2/h3-4,8,10,13-14H,5H2,1-2H3.
What are the key properties of 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol?
3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol has a molecular weight of 276.13 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 171860100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).