3-bromo-7-chloro-2-ethylquinoline

C11H9BrClN — CID 123560307

IUPAC3-bromo-7-chloro-2-ethylquinoline
SMILESCCc1nc2cc(Cl)ccc2cc1Br
InChIInChI=1S/C11H9BrClN/c1-2-10-9(12)5-7-3-4-8(13)6-11(7)14-10/h3-6H,2H2,1H3
InChIKeySPVUDVLZWBLQNJ-UHFFFAOYSA-N
MW270.56 g/mol
LogP4.21
Rot. Bonds1

About 3-bromo-7-chloro-2-ethylquinoline

3-bromo-7-chloro-2-ethylquinoline (PubChem CID 123560307) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 3-bromo-7-chloro-2-ethylquinoline.

Molecular Properties

Compound Name3-bromo-7-chloro-2-ethylquinoline
PubChem CID123560307
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name3-bromo-7-chloro-2-ethylquinoline
SMILESCCc1nc2cc(Cl)ccc2cc1Br
InChIInChI=1S/C11H9BrClN/c1-2-10-9(12)5-7-3-4-8(13)6-11(7)14-10/h3-6H,2H2,1H3
InChIKeySPVUDVLZWBLQNJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-2-ethylquinoline?
The IUPAC name of 3-bromo-7-chloro-2-ethylquinoline (CID 123560307) is 3-bromo-7-chloro-2-ethylquinoline.
What is the SMILES notation for 3-bromo-7-chloro-2-ethylquinoline?
The canonical SMILES for 3-bromo-7-chloro-2-ethylquinoline is CCc1nc2cc(Cl)ccc2cc1Br.
What is the InChIKey of 3-bromo-7-chloro-2-ethylquinoline?
The InChIKey is SPVUDVLZWBLQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c1-2-10-9(12)5-7-3-4-8(13)6-11(7)14-10/h3-6H,2H2,1H3.
What are the key properties of 3-bromo-7-chloro-2-ethylquinoline?
3-bromo-7-chloro-2-ethylquinoline has a molecular weight of 270.56 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-2-ethylquinoline is sourced from PubChem (CID 123560307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).