6-chloro-5-fluoro-2-methyl-1H-indole

C9H7ClFN — CID 130063681

IUPAC6-chloro-5-fluoro-2-methyl-1H-indole
SMILESCc1cc2cc(F)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClFN/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4,12H,1H3
InChIKeyARONCGWGOXJRDJ-UHFFFAOYSA-N
MW183.61 g/mol
LogP3.27
Rot. Bonds

About 6-chloro-5-fluoro-2-methyl-1H-indole

6-chloro-5-fluoro-2-methyl-1H-indole (PubChem CID 130063681) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-methyl-1H-indole
PubChem CID130063681
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name6-chloro-5-fluoro-2-methyl-1H-indole
SMILESCc1cc2cc(F)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClFN/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4,12H,1H3
InChIKeyARONCGWGOXJRDJ-UHFFFAOYSA-N
XLogP3.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-fluoro-2,6-dimethyl-1H-indole
CID 130063636
6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole
CID 166888935
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
1-(5-fluoro-2-methyl-1H-indol-6-yl)cyclopropan-1-ol
CID 117293363
2-(6-chloro-5-fluoro-1H-indol-2-yl)ethanethiol;propan-2-ol
CID 87987630
5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
CID 144996572
5-fluoro-6-(isocyanatomethyl)-2-methyl-1H-indole
CID 117292389
5-chloro-2-methyl-6-nitro-1H-indole
CID 141450137
5,6-dibromo-2-methyl-1H-indole
CID 130290572
carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
CID 161417002
O-[(5-chloro-2-methyl-1H-indol-6-yl)methyl]hydroxylamine
CID 117300856
7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
CID 11680094

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-methyl-1H-indole?
The IUPAC name of 6-chloro-5-fluoro-2-methyl-1H-indole (CID 130063681) is 6-chloro-5-fluoro-2-methyl-1H-indole.
What is the SMILES notation for 6-chloro-5-fluoro-2-methyl-1H-indole?
The canonical SMILES for 6-chloro-5-fluoro-2-methyl-1H-indole is Cc1cc2cc(F)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-5-fluoro-2-methyl-1H-indole?
The InChIKey is ARONCGWGOXJRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4,12H,1H3.
What are the key properties of 6-chloro-5-fluoro-2-methyl-1H-indole?
6-chloro-5-fluoro-2-methyl-1H-indole has a molecular weight of 183.61 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-methyl-1H-indole is sourced from PubChem (CID 130063681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).