ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate

C18H15Cl2NO4 — CID 156760210

IUPACethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(C3CC3)c1=O)-c1cc(Cl)c(Cl)cc1OC2
InChIInChI=1S/C18H15Cl2NO4/c1-2-24-18(23)12-5-9-8-25-15-7-14(20)13(19)6-11(15)16(9)21(17(12)22)10-3-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyLUQZORXCDNDSKV-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.23
Rot. Bonds3

About ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate

ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate (PubChem CID 156760210) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
PubChem CID156760210
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Nameethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(n(C3CC3)c1=O)-c1cc(Cl)c(Cl)cc1OC2
InChIInChI=1S/C18H15Cl2NO4/c1-2-24-18(23)12-5-9-8-25-15-7-14(20)13(19)6-11(15)16(9)21(17(12)22)10-3-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyLUQZORXCDNDSKV-UHFFFAOYSA-N
XLogP4.23
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-cyclopropyl-9-methoxy-8-methyl-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylate
CID 166726204
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
propan-2-yl 9-chloro-1-cyclopropyl-8-(oxan-4-ylmethoxy)-2-oxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylate
CID 155353036
propan-2-yl 9-chloro-1-cyclopropyl-8-ethoxy-5-methyl-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylate
CID 155339681
9-chloro-1-cyclopropyl-8-(2-ethoxyethoxy)-2,6,6-trioxo-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
CID 155339715
ethyl 2-chloro-3-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylate
CID 158593535
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl 2-chloro-4,5-dimethylbenzoate
CID 82550536
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
CID 58861331
ethyl 9-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 178069931

Frequently Asked Questions

What is the IUPAC name of ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate (CID 156760210) is ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(n(C3CC3)c1=O)-c1cc(Cl)c(Cl)cc1OC2.
What is the InChIKey of ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
The InChIKey is LUQZORXCDNDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-2-24-18(23)12-5-9-8-25-15-7-14(20)13(19)6-11(15)16(9)21(17(12)22)10-3-4-10/h5-7,10H,2-4,8H2,1H3.
What are the key properties of ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate?
ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate has a molecular weight of 380.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8,9-dichloro-1-cyclopropyl-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 156760210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).