(2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

C8H7BrINO2 — CID 172560519

IUPAC(2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESC[C@@H]1COc2c(cc(I)nc2Br)O1
InChIInChI=1S/C8H7BrINO2/c1-4-3-12-7-5(13-4)2-6(10)11-8(7)9/h2,4H,3H2,1H3/t4-/m1/s1
InChIKeyKKCKRHVZOACNID-SCSAIBSYSA-N
MW355.96 g/mol
LogP2.61
Rot. Bonds

About (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

(2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 172560519) has the molecular formula C8H7BrINO2 and a molecular weight of 355.96 g/mol. Its IUPAC name is (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name(2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID172560519
Molecular FormulaC8H7BrINO2
Molecular Weight355.96 g/mol
Exact Mass354.87
IUPAC Name(2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESC[C@@H]1COc2c(cc(I)nc2Br)O1
InChIInChI=1S/C8H7BrINO2/c1-4-3-12-7-5(13-4)2-6(10)11-8(7)9/h2,4H,3H2,1H3/t4-/m1/s1
InChIKeyKKCKRHVZOACNID-SCSAIBSYSA-N
XLogP2.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (CID 172560519) is (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is C[C@@H]1COc2c(cc(I)nc2Br)O1.
What is the InChIKey of (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is KKCKRHVZOACNID-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H7BrINO2/c1-4-3-12-7-5(13-4)2-6(10)11-8(7)9/h2,4H,3H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
(2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 355.96 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-bromo-7-iodo-2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 172560519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).