4-bromo-3-chloro-7-fluoro-6-methylquinoline

C10H6BrClFN — CID 114764153

IUPAC4-bromo-3-chloro-7-fluoro-6-methylquinoline
SMILESCc1cc2c(Br)c(Cl)cnc2cc1F
InChIInChI=1S/C10H6BrClFN/c1-5-2-6-9(3-8(5)13)14-4-7(12)10(6)11/h2-4H,1H3
InChIKeyRNIMNKQJIISSBL-UHFFFAOYSA-N
MW274.52 g/mol
LogP4.10
Rot. Bonds

About 4-bromo-3-chloro-7-fluoro-6-methylquinoline

4-bromo-3-chloro-7-fluoro-6-methylquinoline (PubChem CID 114764153) has the molecular formula C10H6BrClFN and a molecular weight of 274.52 g/mol. Its IUPAC name is 4-bromo-3-chloro-7-fluoro-6-methylquinoline.

Molecular Properties

Compound Name4-bromo-3-chloro-7-fluoro-6-methylquinoline
PubChem CID114764153
Molecular FormulaC10H6BrClFN
Molecular Weight274.52 g/mol
Exact Mass272.94
IUPAC Name4-bromo-3-chloro-7-fluoro-6-methylquinoline
SMILESCc1cc2c(Br)c(Cl)cnc2cc1F
InChIInChI=1S/C10H6BrClFN/c1-5-2-6-9(3-8(5)13)14-4-7(12)10(6)11/h2-4H,1H3
InChIKeyRNIMNKQJIISSBL-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-7-fluoro-6-methylquinoline?
The IUPAC name of 4-bromo-3-chloro-7-fluoro-6-methylquinoline (CID 114764153) is 4-bromo-3-chloro-7-fluoro-6-methylquinoline.
What is the SMILES notation for 4-bromo-3-chloro-7-fluoro-6-methylquinoline?
The canonical SMILES for 4-bromo-3-chloro-7-fluoro-6-methylquinoline is Cc1cc2c(Br)c(Cl)cnc2cc1F.
What is the InChIKey of 4-bromo-3-chloro-7-fluoro-6-methylquinoline?
The InChIKey is RNIMNKQJIISSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN/c1-5-2-6-9(3-8(5)13)14-4-7(12)10(6)11/h2-4H,1H3.
What are the key properties of 4-bromo-3-chloro-7-fluoro-6-methylquinoline?
4-bromo-3-chloro-7-fluoro-6-methylquinoline has a molecular weight of 274.52 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-7-fluoro-6-methylquinoline is sourced from PubChem (CID 114764153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).