5-bromo-6-ethoxyquinoline

C11H10BrNO — CID 4197454

IUPAC5-bromo-6-ethoxyquinoline
SMILESCCOc1ccc2ncccc2c1Br
InChIInChI=1S/C11H10BrNO/c1-2-14-10-6-5-9-8(11(10)12)4-3-7-13-9/h3-7H,2H2,1H3
InChIKeyVJKPYNSHQOEZDW-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.40
Rot. Bonds2

About 5-bromo-6-ethoxyquinoline

5-bromo-6-ethoxyquinoline (PubChem CID 4197454) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-6-ethoxyquinoline.

Molecular Properties

Compound Name5-bromo-6-ethoxyquinoline
PubChem CID4197454
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-bromo-6-ethoxyquinoline
SMILESCCOc1ccc2ncccc2c1Br
InChIInChI=1S/C11H10BrNO/c1-2-14-10-6-5-9-8(11(10)12)4-3-7-13-9/h3-7H,2H2,1H3
InChIKeyVJKPYNSHQOEZDW-UHFFFAOYSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-8-ethoxyquinoline
CID 100612531
6-azido-5-bromoquinoline
CID 152531044
5-bromoquinoline-6-carbonitrile
CID 175111450
6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
CID 107722598
6-ethenyl-5-ethylquinoline
CID 166703553
1-(8-ethoxyquinolin-5-yl)ethanol
CID 82264789
N-[1-(2-ethoxyphenyl)ethyl]quinolin-5-amine
CID 43823792
3-ethoxy-2-fluoropyridine
CID 11355527
5-bromoquinoline;ethane
CID 142484600
2-bromo-4-ethoxyquinoline
CID 824618
5-ethyl-6-propan-2-ylquinoline
CID 166938108
6-methoxyquinoline-5-carbonitrile
CID 603537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethoxyquinoline?
The IUPAC name of 5-bromo-6-ethoxyquinoline (CID 4197454) is 5-bromo-6-ethoxyquinoline.
What is the SMILES notation for 5-bromo-6-ethoxyquinoline?
The canonical SMILES for 5-bromo-6-ethoxyquinoline is CCOc1ccc2ncccc2c1Br.
What is the InChIKey of 5-bromo-6-ethoxyquinoline?
The InChIKey is VJKPYNSHQOEZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-2-14-10-6-5-9-8(11(10)12)4-3-7-13-9/h3-7H,2H2,1H3.
What are the key properties of 5-bromo-6-ethoxyquinoline?
5-bromo-6-ethoxyquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethoxyquinoline is sourced from PubChem (CID 4197454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).