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

C15H10ClNO4 — CID 20561047

IUPACethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccccc3c(=O)c2nc1Cl
InChIInChI=1S/C15H10ClNO4/c1-2-20-15(19)9-7-11-12(17-14(9)16)13(18)8-5-3-4-6-10(8)21-11/h3-7H,2H2,1H3
InChIKeyMDTGTUVNJYGYRT-UHFFFAOYSA-N
MW303.70 g/mol
LogP3.17
Rot. Bonds2

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

ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate (PubChem CID 20561047) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
PubChem CID20561047
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Nameethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccccc3c(=O)c2nc1Cl
InChIInChI=1S/C15H10ClNO4/c1-2-20-15(19)9-7-11-12(17-14(9)16)13(18)8-5-3-4-6-10(8)21-11/h3-7H,2H2,1H3
InChIKeyMDTGTUVNJYGYRT-UHFFFAOYSA-N
XLogP3.17
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.17
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-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate (CID 20561047) is ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1cc2oc3ccccc3c(=O)c2nc1Cl.
What is the InChIKey of ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The InChIKey is MDTGTUVNJYGYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-2-20-15(19)9-7-11-12(17-14(9)16)13(18)8-5-3-4-6-10(8)21-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate has a molecular weight of 303.70 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 20561047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).