1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane

C10H16BrNO2 — CID 168939076

IUPAC1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane
SMILESCC.Cc1nc(Br)ccc1C(O)CO
InChIInChI=1S/C8H10BrNO2.C2H6/c1-5-6(7(12)4-11)2-3-8(9)10-5;1-2/h2-3,7,11-12H,4H2,1H3;1-2H3
InChIKeyWPKHYRIKZDZZAG-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.20
Rot. Bonds2

About 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane

1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane (PubChem CID 168939076) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane.

Molecular Properties

Compound Name1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane
PubChem CID168939076
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane
SMILESCC.Cc1nc(Br)ccc1C(O)CO
InChIInChI=1S/C8H10BrNO2.C2H6/c1-5-6(7(12)4-11)2-3-8(9)10-5;1-2/h2-3,7,11-12H,4H2,1H3;1-2H3
InChIKeyWPKHYRIKZDZZAG-UHFFFAOYSA-N
XLogP2.20
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane?
The IUPAC name of 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane (CID 168939076) is 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane.
What is the SMILES notation for 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane?
The canonical SMILES for 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane is CC.Cc1nc(Br)ccc1C(O)CO.
What is the InChIKey of 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane?
The InChIKey is WPKHYRIKZDZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2.C2H6/c1-5-6(7(12)4-11)2-3-8(9)10-5;1-2/h2-3,7,11-12H,4H2,1H3;1-2H3.
What are the key properties of 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane?
1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane has a molecular weight of 262.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane is sourced from PubChem (CID 168939076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).