ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate

C15H9Cl2NO4 — CID 20561034

IUPACethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(Cl)cc3c(=O)c2nc1Cl
InChIInChI=1S/C15H9Cl2NO4/c1-2-21-15(20)9-6-11-12(18-14(9)17)13(19)8-5-7(16)3-4-10(8)22-11/h3-6H,2H2,1H3
InChIKeyQDYDHDZAEJSNJB-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.82
Rot. Bonds2

About ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate

ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate (PubChem CID 20561034) has the molecular formula C15H9Cl2NO4 and a molecular weight of 338.15 g/mol. Its IUPAC name is ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
PubChem CID20561034
Molecular FormulaC15H9Cl2NO4
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Nameethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(Cl)cc3c(=O)c2nc1Cl
InChIInChI=1S/C15H9Cl2NO4/c1-2-21-15(20)9-6-11-12(18-14(9)17)13(19)8-5-7(16)3-4-10(8)22-11/h3-6H,2H2,1H3
InChIKeyQDYDHDZAEJSNJB-UHFFFAOYSA-N
XLogP3.82
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate (CID 20561034) is ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1cc2oc3ccc(Cl)cc3c(=O)c2nc1Cl.
What is the InChIKey of ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The InChIKey is QDYDHDZAEJSNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO4/c1-2-21-15(20)9-6-11-12(18-14(9)17)13(19)8-5-7(16)3-4-10(8)22-11/h3-6H,2H2,1H3.
What are the key properties of ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate has a molecular weight of 338.15 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,8-dichloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 20561034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).