1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole

C12H8ClFN2 — CID 115040554

IUPAC1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
SMILESCn1c2ccc(F)cc2c2ccnc(Cl)c21
InChIInChI=1S/C12H8ClFN2/c1-16-10-3-2-7(14)6-9(10)8-4-5-15-12(13)11(8)16/h2-6H,1H3
InChIKeyIMPWAUCNFFZKCA-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.52
Rot. Bonds

About 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole

1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole (PubChem CID 115040554) has the molecular formula C12H8ClFN2 and a molecular weight of 234.66 g/mol. Its IUPAC name is 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
PubChem CID115040554
Molecular FormulaC12H8ClFN2
Molecular Weight234.66 g/mol
Exact Mass234.04
IUPAC Name1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
SMILESCn1c2ccc(F)cc2c2ccnc(Cl)c21
InChIInChI=1S/C12H8ClFN2/c1-16-10-3-2-7(14)6-9(10)8-4-5-15-12(13)11(8)16/h2-6H,1H3
InChIKeyIMPWAUCNFFZKCA-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile
CID 169147546
6-bromo-9-methylpyrido[3,4-b]indol-1-amine
CID 115051036
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one
CID 167843085
3-chloro-7-fluoro-1,9-dimethylpyrido[3,4-b]indole
CID 115046380
1,6-dichloro-9-fluorobenzo[c][1,6]naphthyridine
CID 59375375
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
CID 84705243
(3-chloro-5-fluoro-1-methylindol-2-yl) hydrogen carbonate
CID 67803265
7-chloro-1-methoxy-10-methylbenzo[b][1,7]naphthyridin-5-one
CID 142110664
3-chloro-5-fluoro-1-(2-methylpropyl)indazole
CID 105484197

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole?
The IUPAC name of 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole (CID 115040554) is 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole.
What is the SMILES notation for 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole?
The canonical SMILES for 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole is Cn1c2ccc(F)cc2c2ccnc(Cl)c21.
What is the InChIKey of 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole?
The InChIKey is IMPWAUCNFFZKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2/c1-16-10-3-2-7(14)6-9(10)8-4-5-15-12(13)11(8)16/h2-6H,1H3.
What are the key properties of 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole?
1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole has a molecular weight of 234.66 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole is sourced from PubChem (CID 115040554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).