3,4-dibromo-6-ethoxy-7-fluoroquinoline

C11H8Br2FNO — CID 114764166

IUPAC3,4-dibromo-6-ethoxy-7-fluoroquinoline
SMILESCCOc1cc2c(Br)c(Br)cnc2cc1F
InChIInChI=1S/C11H8Br2FNO/c1-2-16-10-3-6-9(4-8(10)14)15-5-7(12)11(6)13/h3-5H,2H2,1H3
InChIKeyCHLMHRMZEMYUDA-UHFFFAOYSA-N
MW349.00 g/mol
LogP4.30
Rot. Bonds2

About 3,4-dibromo-6-ethoxy-7-fluoroquinoline

3,4-dibromo-6-ethoxy-7-fluoroquinoline (PubChem CID 114764166) has the molecular formula C11H8Br2FNO and a molecular weight of 349.00 g/mol. Its IUPAC name is 3,4-dibromo-6-ethoxy-7-fluoroquinoline.

Molecular Properties

Compound Name3,4-dibromo-6-ethoxy-7-fluoroquinoline
PubChem CID114764166
Molecular FormulaC11H8Br2FNO
Molecular Weight349.00 g/mol
Exact Mass346.90
IUPAC Name3,4-dibromo-6-ethoxy-7-fluoroquinoline
SMILESCCOc1cc2c(Br)c(Br)cnc2cc1F
InChIInChI=1S/C11H8Br2FNO/c1-2-16-10-3-6-9(4-8(10)14)15-5-7(12)11(6)13/h3-5H,2H2,1H3
InChIKeyCHLMHRMZEMYUDA-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-6-ethoxy-7-fluoroquinoline
CID 114764168
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
6-ethoxy-7-fluoro-3H-quinazolin-4-one
CID 136677481
6-ethoxy-3-ethyl-7-fluoro-2-methylquinolin-4-amine
CID 113399809
2,3-dibromo-1-ethoxy-4,5-difluorobenzene
CID 118813468
5-bromo-2,4-diethoxypyridine
CID 1236662
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
2-chloro-4-ethoxy-5-fluoropyridine
CID 82653688
5-ethoxy-2,4-difluorophenol
CID 125116194
5-bromo-4-ethoxypyridin-2-amine;hydrobromide
CID 134328436
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-ethoxy-7-fluoroquinoline?
The IUPAC name of 3,4-dibromo-6-ethoxy-7-fluoroquinoline (CID 114764166) is 3,4-dibromo-6-ethoxy-7-fluoroquinoline.
What is the SMILES notation for 3,4-dibromo-6-ethoxy-7-fluoroquinoline?
The canonical SMILES for 3,4-dibromo-6-ethoxy-7-fluoroquinoline is CCOc1cc2c(Br)c(Br)cnc2cc1F.
What is the InChIKey of 3,4-dibromo-6-ethoxy-7-fluoroquinoline?
The InChIKey is CHLMHRMZEMYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNO/c1-2-16-10-3-6-9(4-8(10)14)15-5-7(12)11(6)13/h3-5H,2H2,1H3.
What are the key properties of 3,4-dibromo-6-ethoxy-7-fluoroquinoline?
3,4-dibromo-6-ethoxy-7-fluoroquinoline has a molecular weight of 349.00 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-ethoxy-7-fluoroquinoline is sourced from PubChem (CID 114764166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).