4,6,7-trichloro-8-fluoro-3-methylquinoline

C10H5Cl3FN — CID 171373330

IUPAC4,6,7-trichloro-8-fluoro-3-methylquinoline
SMILESCc1cnc2c(F)c(Cl)c(Cl)cc2c1Cl
InChIInChI=1S/C10H5Cl3FN/c1-4-3-15-10-5(7(4)12)2-6(11)8(13)9(10)14/h2-3H,1H3
InChIKeyAPJLOTAUEFTXEI-UHFFFAOYSA-N
MW264.51 g/mol
LogP4.64
Rot. Bonds

About 4,6,7-trichloro-8-fluoro-3-methylquinoline

4,6,7-trichloro-8-fluoro-3-methylquinoline (PubChem CID 171373330) has the molecular formula C10H5Cl3FN and a molecular weight of 264.51 g/mol. Its IUPAC name is 4,6,7-trichloro-8-fluoro-3-methylquinoline.

Molecular Properties

Compound Name4,6,7-trichloro-8-fluoro-3-methylquinoline
PubChem CID171373330
Molecular FormulaC10H5Cl3FN
Molecular Weight264.51 g/mol
Exact Mass262.95
IUPAC Name4,6,7-trichloro-8-fluoro-3-methylquinoline
SMILESCc1cnc2c(F)c(Cl)c(Cl)cc2c1Cl
InChIInChI=1S/C10H5Cl3FN/c1-4-3-15-10-5(7(4)12)2-6(11)8(13)9(10)14/h2-3H,1H3
InChIKeyAPJLOTAUEFTXEI-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 54.64
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

4-chloro-6,8-difluoro-3,7-dimethylquinoline
CID 171373268
4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
CID 171373414
8-bromo-4-chloro-6,7-difluoro-3-methylquinoline
CID 171373376
4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
CID 125425900
4,8-dichloro-5,6-difluoro-3-methylquinoline
CID 171373412
7-bromo-4-chloro-6-fluoro-3-methylquinolin-8-amine
CID 125426292
4,5,7,8-tetrachloro-3-methylquinoline
CID 171373423
7-bromo-4-chloro-3,6,8-trimethylquinoline
CID 171373456
4-chloro-6-methoxy-3,8-dimethylquinoline
CID 171373217
4,6-dichloro-8-methoxy-3-methylquinoline
CID 171373411
8-bromo-6-tert-butyl-4-chloro-3-methylquinoline
CID 171373399
8-bromo-4-chloro-3-methyl-6-propan-2-ylquinoline
CID 171373295

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trichloro-8-fluoro-3-methylquinoline?
The IUPAC name of 4,6,7-trichloro-8-fluoro-3-methylquinoline (CID 171373330) is 4,6,7-trichloro-8-fluoro-3-methylquinoline.
What is the SMILES notation for 4,6,7-trichloro-8-fluoro-3-methylquinoline?
The canonical SMILES for 4,6,7-trichloro-8-fluoro-3-methylquinoline is Cc1cnc2c(F)c(Cl)c(Cl)cc2c1Cl.
What is the InChIKey of 4,6,7-trichloro-8-fluoro-3-methylquinoline?
The InChIKey is APJLOTAUEFTXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3FN/c1-4-3-15-10-5(7(4)12)2-6(11)8(13)9(10)14/h2-3H,1H3.
What are the key properties of 4,6,7-trichloro-8-fluoro-3-methylquinoline?
4,6,7-trichloro-8-fluoro-3-methylquinoline has a molecular weight of 264.51 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trichloro-8-fluoro-3-methylquinoline is sourced from PubChem (CID 171373330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).