8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one

C12H5BrClNO2 — CID 58466196

IUPAC8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one
SMILESO=c1c2cc(Br)ccc2oc2ccc(Cl)nc12
InChIInChI=1S/C12H5BrClNO2/c13-6-1-2-8-7(5-6)12(16)11-9(17-8)3-4-10(14)15-11/h1-5H
InChIKeyCIRBIFWFUJRNKZ-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.76
Rot. Bonds

About 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one

8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one (PubChem CID 58466196) has the molecular formula C12H5BrClNO2 and a molecular weight of 310.53 g/mol. Its IUPAC name is 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one.

Molecular Properties

Compound Name8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one
PubChem CID58466196
Molecular FormulaC12H5BrClNO2
Molecular Weight310.53 g/mol
Exact Mass308.92
IUPAC Name8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one
SMILESO=c1c2cc(Br)ccc2oc2ccc(Cl)nc12
InChIInChI=1S/C12H5BrClNO2/c13-6-1-2-8-7(5-6)12(16)11-9(17-8)3-4-10(14)15-11/h1-5H
InChIKeyCIRBIFWFUJRNKZ-UHFFFAOYSA-N
XLogP3.76
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one?
The IUPAC name of 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one (CID 58466196) is 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one.
What is the SMILES notation for 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one?
The canonical SMILES for 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one is O=c1c2cc(Br)ccc2oc2ccc(Cl)nc12.
What is the InChIKey of 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one?
The InChIKey is CIRBIFWFUJRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClNO2/c13-6-1-2-8-7(5-6)12(16)11-9(17-8)3-4-10(14)15-11/h1-5H.
What are the key properties of 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one?
8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one has a molecular weight of 310.53 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chlorochromeno[3,2-b]pyridin-10-one is sourced from PubChem (CID 58466196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).