(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol

C10H14BrNO3 — CID 170207204

IUPAC(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol
SMILESCOC(O)c1cnc(OC(C)C)c(Br)c1
InChIInChI=1S/C10H14BrNO3/c1-6(2)15-9-8(11)4-7(5-12-9)10(13)14-3/h4-6,10,13H,1-3H3
InChIKeyDOPHZTRHVHIKPD-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.27
Rot. Bonds4

About (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol

(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol (PubChem CID 170207204) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol.

Molecular Properties

Compound Name(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol
PubChem CID170207204
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol
SMILESCOC(O)c1cnc(OC(C)C)c(Br)c1
InChIInChI=1S/C10H14BrNO3/c1-6(2)15-9-8(11)4-7(5-12-9)10(13)14-3/h4-6,10,13H,1-3H3
InChIKeyDOPHZTRHVHIKPD-UHFFFAOYSA-N
XLogP2.27
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol?
The IUPAC name of (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol (CID 170207204) is (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol.
What is the SMILES notation for (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol?
The canonical SMILES for (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol is COC(O)c1cnc(OC(C)C)c(Br)c1.
What is the InChIKey of (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol?
The InChIKey is DOPHZTRHVHIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6(2)15-9-8(11)4-7(5-12-9)10(13)14-3/h4-6,10,13H,1-3H3.
What are the key properties of (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol?
(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol has a molecular weight of 276.13 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol is sourced from PubChem (CID 170207204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).