8-bromo-4-chloro-2-methylquinoline

C10H7BrClN — CID 768483

IUPAC8-bromo-4-chloro-2-methylquinoline
SMILESCc1cc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChIKeySDVHWORPDUOWDV-UHFFFAOYSA-N
MW256.53 g/mol
LogP3.96
Rot. Bonds

About 8-bromo-4-chloro-2-methylquinoline

8-bromo-4-chloro-2-methylquinoline (PubChem CID 768483) has the molecular formula C10H7BrClN and a molecular weight of 256.53 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-methylquinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-methylquinoline
PubChem CID768483
Molecular FormulaC10H7BrClN
Molecular Weight256.53 g/mol
Exact Mass254.95
IUPAC Name8-bromo-4-chloro-2-methylquinoline
SMILESCc1cc(Cl)c2cccc(Br)c2n1
InChIInChI=1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChIKeySDVHWORPDUOWDV-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.53
LogP ≤ 53.96
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-methylquinoline?
The IUPAC name of 8-bromo-4-chloro-2-methylquinoline (CID 768483) is 8-bromo-4-chloro-2-methylquinoline.
What is the SMILES notation for 8-bromo-4-chloro-2-methylquinoline?
The canonical SMILES for 8-bromo-4-chloro-2-methylquinoline is Cc1cc(Cl)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-4-chloro-2-methylquinoline?
The InChIKey is SDVHWORPDUOWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3.
What are the key properties of 8-bromo-4-chloro-2-methylquinoline?
8-bromo-4-chloro-2-methylquinoline has a molecular weight of 256.53 g/mol, XLogP of 3.96, 0 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-methylquinoline is sourced from PubChem (CID 768483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).