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

C15H11ClN2O4 — CID 20561037

IUPACethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(Cl)cc3c(=O)c2nc1N
InChIInChI=1S/C15H11ClN2O4/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,(H2,17,18)
InChIKeyPRXTTYAFWNUOID-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.75
Rot. Bonds2

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

ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate (PubChem CID 20561037) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
PubChem CID20561037
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC Nameethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2oc3ccc(Cl)cc3c(=O)c2nc1N
InChIInChI=1S/C15H11ClN2O4/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,(H2,17,18)
InChIKeyPRXTTYAFWNUOID-UHFFFAOYSA-N
XLogP2.75
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate (CID 20561037) is ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1cc2oc3ccc(Cl)cc3c(=O)c2nc1N.
What is the InChIKey of ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
The InChIKey is PRXTTYAFWNUOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/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,(H2,17,18).
What are the key properties of ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate?
ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate has a molecular weight of 318.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-8-chloro-10-oxochromeno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 20561037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).