6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline

C10H4BrCl2F2N — CID 170448621

IUPAC6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline
SMILESCc1nc2cc(F)c(Br)c(F)c2c(Cl)c1Cl
InChIInChI=1S/C10H4BrCl2F2N/c1-3-8(12)9(13)6-5(16-3)2-4(14)7(11)10(6)15/h2H,1H3
InChIKeyNGYIVTHZWAJLQF-UHFFFAOYSA-N
MW326.96 g/mol
LogP4.89
Rot. Bonds

About 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline

6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline (PubChem CID 170448621) has the molecular formula C10H4BrCl2F2N and a molecular weight of 326.96 g/mol. Its IUPAC name is 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline
PubChem CID170448621
Molecular FormulaC10H4BrCl2F2N
Molecular Weight326.96 g/mol
Exact Mass324.89
IUPAC Name6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline
SMILESCc1nc2cc(F)c(Br)c(F)c2c(Cl)c1Cl
InChIInChI=1S/C10H4BrCl2F2N/c1-3-8(12)9(13)6-5(16-3)2-4(14)7(11)10(6)15/h2H,1H3
InChIKeyNGYIVTHZWAJLQF-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.96
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one
CID 169110681
6-bromo-4-chloro-2,3,5,7-tetramethylquinoline
CID 107577474
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
4,8-dibromo-3-chloro-2,6-dimethylquinoline
CID 121236438
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
3-bromo-7-chloro-2-methylquinoline
CID 151670813
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
3-bromo-2,4-difluoro-6-methylaniline;hydrochloride
CID 178161006
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699
[5-(7,8-dichloro-3-fluoro-6-methyl-1,5-naphthyridin-2-yl)pyrimidin-2-yl]-dimethylphosphane
CID 170446076
2-chloro-1,5-difluoro-3,4-dimethylbenzene
CID 143320030

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline?
The IUPAC name of 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline (CID 170448621) is 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline.
What is the SMILES notation for 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline?
The canonical SMILES for 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline is Cc1nc2cc(F)c(Br)c(F)c2c(Cl)c1Cl.
What is the InChIKey of 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline?
The InChIKey is NGYIVTHZWAJLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2F2N/c1-3-8(12)9(13)6-5(16-3)2-4(14)7(11)10(6)15/h2H,1H3.
What are the key properties of 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline?
6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline has a molecular weight of 326.96 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline is sourced from PubChem (CID 170448621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).