4-bromo-8-fluoro-6-methylquinoline

C10H7BrFN — CID 114764008

IUPAC4-bromo-8-fluoro-6-methylquinoline
SMILESCc1cc(F)c2nccc(Br)c2c1
InChIInChI=1S/C10H7BrFN/c1-6-4-7-8(11)2-3-13-10(7)9(12)5-6/h2-5H,1H3
InChIKeyYXBPVNGPIVKDSR-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.44
Rot. Bonds

About 4-bromo-8-fluoro-6-methylquinoline

4-bromo-8-fluoro-6-methylquinoline (PubChem CID 114764008) has the molecular formula C10H7BrFN and a molecular weight of 240.08 g/mol. Its IUPAC name is 4-bromo-8-fluoro-6-methylquinoline.

Molecular Properties

Compound Name4-bromo-8-fluoro-6-methylquinoline
PubChem CID114764008
Molecular FormulaC10H7BrFN
Molecular Weight240.08 g/mol
Exact Mass238.97
IUPAC Name4-bromo-8-fluoro-6-methylquinoline
SMILESCc1cc(F)c2nccc(Br)c2c1
InChIInChI=1S/C10H7BrFN/c1-6-4-7-8(11)2-3-13-10(7)9(12)5-6/h2-5H,1H3
InChIKeyYXBPVNGPIVKDSR-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dibromo-10-methylpyrido[3,2-g]quinoline
CID 102458232
4-bromo-8-methyl-1,7-naphthyridine
CID 103416470
4-bromo-6-[(2,6-difluorophenyl)methoxy]-8-methylquinoline
CID 118870226
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
5-bromo-7-methylquinoxaline
CID 45117463
2-bromo-8-fluoro-6-methylquinoline
CID 102941093
4-bromo-2-fluoro-3-methylpyridine
CID 22888280
4,8-dibromo-5-fluoroquinoline
CID 107627841
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
4-bromo-5,6,7-trifluoroquinoline
CID 114764064
4-bromo-2-fluoro-3-methylpyridine;ethane
CID 143380357

Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-fluoro-6-methylquinoline?
The IUPAC name of 4-bromo-8-fluoro-6-methylquinoline (CID 114764008) is 4-bromo-8-fluoro-6-methylquinoline.
What is the SMILES notation for 4-bromo-8-fluoro-6-methylquinoline?
The canonical SMILES for 4-bromo-8-fluoro-6-methylquinoline is Cc1cc(F)c2nccc(Br)c2c1.
What is the InChIKey of 4-bromo-8-fluoro-6-methylquinoline?
The InChIKey is YXBPVNGPIVKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN/c1-6-4-7-8(11)2-3-13-10(7)9(12)5-6/h2-5H,1H3.
What are the key properties of 4-bromo-8-fluoro-6-methylquinoline?
4-bromo-8-fluoro-6-methylquinoline has a molecular weight of 240.08 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-fluoro-6-methylquinoline is sourced from PubChem (CID 114764008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).