ethyl 6-bromoquinoline-3-carboxylate

C12H10BrNO2 — CID 12034638

IUPACethyl 6-bromoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1
InChIInChI=1S/C12H10BrNO2/c1-2-16-12(15)9-5-8-6-10(13)3-4-11(8)14-7-9/h3-7H,2H2,1H3
InChIKeyOYVUIUHFSQPCSG-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.17
Rot. Bonds2

About ethyl 6-bromoquinoline-3-carboxylate

ethyl 6-bromoquinoline-3-carboxylate (PubChem CID 12034638) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is ethyl 6-bromoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromoquinoline-3-carboxylate
PubChem CID12034638
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Nameethyl 6-bromoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Br)cc2c1
InChIInChI=1S/C12H10BrNO2/c1-2-16-12(15)9-5-8-6-10(13)3-4-11(8)14-7-9/h3-7H,2H2,1H3
InChIKeyOYVUIUHFSQPCSG-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromoquinoline-3-carboxylate (CID 12034638) is ethyl 6-bromoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromoquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(Br)cc2c1.
What is the InChIKey of ethyl 6-bromoquinoline-3-carboxylate?
The InChIKey is OYVUIUHFSQPCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-2-16-12(15)9-5-8-6-10(13)3-4-11(8)14-7-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 6-bromoquinoline-3-carboxylate?
ethyl 6-bromoquinoline-3-carboxylate has a molecular weight of 280.12 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromoquinoline-3-carboxylate is sourced from PubChem (CID 12034638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).