5-chloro-6-fluoro-3-methyl-1H-indole

C9H7ClFN — CID 118084325

IUPAC5-chloro-6-fluoro-3-methyl-1H-indole
SMILESCc1c[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C9H7ClFN/c1-5-4-12-9-3-8(11)7(10)2-6(5)9/h2-4,12H,1H3
InChIKeyCYOPPDWPPRJANS-UHFFFAOYSA-N
MW183.61 g/mol
LogP3.27
Rot. Bonds

About 5-chloro-6-fluoro-3-methyl-1H-indole

5-chloro-6-fluoro-3-methyl-1H-indole (PubChem CID 118084325) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is 5-chloro-6-fluoro-3-methyl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-fluoro-3-methyl-1H-indole
PubChem CID118084325
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name5-chloro-6-fluoro-3-methyl-1H-indole
SMILESCc1c[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C9H7ClFN/c1-5-4-12-9-3-8(11)7(10)2-6(5)9/h2-4,12H,1H3
InChIKeyCYOPPDWPPRJANS-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

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
Tryptamine hydrochloride
CID 67652
5-Methyltryptamine
CID 15760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-3-methyl-1H-indole?
The IUPAC name of 5-chloro-6-fluoro-3-methyl-1H-indole (CID 118084325) is 5-chloro-6-fluoro-3-methyl-1H-indole.
What is the SMILES notation for 5-chloro-6-fluoro-3-methyl-1H-indole?
The canonical SMILES for 5-chloro-6-fluoro-3-methyl-1H-indole is Cc1c[nH]c2cc(F)c(Cl)cc12.
What is the InChIKey of 5-chloro-6-fluoro-3-methyl-1H-indole?
The InChIKey is CYOPPDWPPRJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN/c1-5-4-12-9-3-8(11)7(10)2-6(5)9/h2-4,12H,1H3.
What are the key properties of 5-chloro-6-fluoro-3-methyl-1H-indole?
5-chloro-6-fluoro-3-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 5-chloro-6-fluoro-3-methyl-1H-indole is sourced from PubChem (CID 118084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).