8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline

C11H7BrClF2N — CID 82766655

IUPAC8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
SMILESCc1ccc(Br)c2nc(C(F)F)cc(Cl)c12
InChIInChI=1S/C11H7BrClF2N/c1-5-2-3-6(12)10-9(5)7(13)4-8(16-10)11(14)15/h2-4,11H,1H3
InChIKeyYYMQINLWQLBOSI-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.90
Rot. Bonds1

About 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline

8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline (PubChem CID 82766655) has the molecular formula C11H7BrClF2N and a molecular weight of 306.54 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
PubChem CID82766655
Molecular FormulaC11H7BrClF2N
Molecular Weight306.54 g/mol
Exact Mass304.94
IUPAC Name8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
SMILESCc1ccc(Br)c2nc(C(F)F)cc(Cl)c12
InChIInChI=1S/C11H7BrClF2N/c1-5-2-3-6(12)10-9(5)7(13)4-8(16-10)11(14)15/h2-4,11H,1H3
InChIKeyYYMQINLWQLBOSI-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline?
The IUPAC name of 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline (CID 82766655) is 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline.
What is the SMILES notation for 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline?
The canonical SMILES for 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline is Cc1ccc(Br)c2nc(C(F)F)cc(Cl)c12.
What is the InChIKey of 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline?
The InChIKey is YYMQINLWQLBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF2N/c1-5-2-3-6(12)10-9(5)7(13)4-8(16-10)11(14)15/h2-4,11H,1H3.
What are the key properties of 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline?
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline has a molecular weight of 306.54 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline is sourced from PubChem (CID 82766655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).