chloromethane;2-fluoro-6,7-dimethylquinoline

C12H13ClFN — CID 145498420

IUPACchloromethane;2-fluoro-6,7-dimethylquinoline
SMILESCCl.Cc1cc2ccc(F)nc2cc1C
InChIInChI=1S/C11H10FN.CH3Cl/c1-7-5-9-3-4-11(12)13-10(9)6-8(7)2;1-2/h3-6H,1-2H3;1H3
InChIKeyOAGIYUXCTJBOCR-UHFFFAOYSA-N
MW225.69 g/mol
LogP3.85
Rot. Bonds

About chloromethane;2-fluoro-6,7-dimethylquinoline

chloromethane;2-fluoro-6,7-dimethylquinoline (PubChem CID 145498420) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is chloromethane;2-fluoro-6,7-dimethylquinoline.

Molecular Properties

Compound Namechloromethane;2-fluoro-6,7-dimethylquinoline
PubChem CID145498420
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Namechloromethane;2-fluoro-6,7-dimethylquinoline
SMILESCCl.Cc1cc2ccc(F)nc2cc1C
InChIInChI=1S/C11H10FN.CH3Cl/c1-7-5-9-3-4-11(12)13-10(9)6-8(7)2;1-2/h3-6H,1-2H3;1H3
InChIKeyOAGIYUXCTJBOCR-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloromethane;2-fluoro-6,7-dimethylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-2,6-dimethylquinoline
CID 143814242
2-fluoro-6,7-dimethylquinoxaline
CID 10654851
2,3-difluoro-6,7-dimethylquinoxaline
CID 10726458
2-bromo-7-fluoro-6-methylquinoline
CID 102941278
3-fluoro-8-methylbenzo[f][1,7]naphthyridine
CID 141377178
ethane;6-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 142309193
2-(bromomethyl)-7-chloro-6-methylquinoline
CID 124706884
6-fluoro-3-methylpyridine-2-carbonitrile
CID 104546694
2-fluoro-9-[4-(9-fluoro-1,10-phenanthrolin-2-yl)-2,5-dimethylphenyl]-1,10-phenanthroline
CID 59736407
2-chloro-6,7-dimethylquinolin-3-amine
CID 114553740
2,9-difluoro-1,10-phenanthroline
CID 58555940
2-(2,2-dimethylpropyl)-6-fluoro-3-methylpyridine
CID 129223402

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-fluoro-6,7-dimethylquinoline?
The IUPAC name of chloromethane;2-fluoro-6,7-dimethylquinoline (CID 145498420) is chloromethane;2-fluoro-6,7-dimethylquinoline.
What is the SMILES notation for chloromethane;2-fluoro-6,7-dimethylquinoline?
The canonical SMILES for chloromethane;2-fluoro-6,7-dimethylquinoline is CCl.Cc1cc2ccc(F)nc2cc1C.
What is the InChIKey of chloromethane;2-fluoro-6,7-dimethylquinoline?
The InChIKey is OAGIYUXCTJBOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.CH3Cl/c1-7-5-9-3-4-11(12)13-10(9)6-8(7)2;1-2/h3-6H,1-2H3;1H3.
What are the key properties of chloromethane;2-fluoro-6,7-dimethylquinoline?
chloromethane;2-fluoro-6,7-dimethylquinoline has a molecular weight of 225.69 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-fluoro-6,7-dimethylquinoline is sourced from PubChem (CID 145498420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).