3-chloro-6-fluoro-1-methylindole

C9H7ClFN — CID 153370485

IUPAC3-chloro-6-fluoro-1-methylindole
SMILESCn1cc(Cl)c2ccc(F)cc21
InChIInChI=1S/C9H7ClFN/c1-12-5-8(10)7-3-2-6(11)4-9(7)12/h2-5H,1H3
InChIKeyGKBSXXCSNKLUMN-UHFFFAOYSA-N
MW183.61 g/mol
LogP2.97
Rot. Bonds

About 3-chloro-6-fluoro-1-methylindole

3-chloro-6-fluoro-1-methylindole (PubChem CID 153370485) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is 3-chloro-6-fluoro-1-methylindole.

Molecular Properties

Compound Name3-chloro-6-fluoro-1-methylindole
PubChem CID153370485
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name3-chloro-6-fluoro-1-methylindole
SMILESCn1cc(Cl)c2ccc(F)cc21
InChIInChI=1S/C9H7ClFN/c1-12-5-8(10)7-3-2-6(11)4-9(7)12/h2-5H,1H3
InChIKeyGKBSXXCSNKLUMN-UHFFFAOYSA-N
XLogP2.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-1-methylindole?
The IUPAC name of 3-chloro-6-fluoro-1-methylindole (CID 153370485) is 3-chloro-6-fluoro-1-methylindole.
What is the SMILES notation for 3-chloro-6-fluoro-1-methylindole?
The canonical SMILES for 3-chloro-6-fluoro-1-methylindole is Cn1cc(Cl)c2ccc(F)cc21.
What is the InChIKey of 3-chloro-6-fluoro-1-methylindole?
The InChIKey is GKBSXXCSNKLUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN/c1-12-5-8(10)7-3-2-6(11)4-9(7)12/h2-5H,1H3.
What are the key properties of 3-chloro-6-fluoro-1-methylindole?
3-chloro-6-fluoro-1-methylindole has a molecular weight of 183.61 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-1-methylindole is sourced from PubChem (CID 153370485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).