3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole

C12H13ClN2 — CID 168941671

IUPAC3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole
SMILESCc1cc(Cl)cc2c(C3CNC3)c[nH]c12
InChIInChI=1S/C12H13ClN2/c1-7-2-9(13)3-10-11(6-15-12(7)10)8-4-14-5-8/h2-3,6,8,14-15H,4-5H2,1H3
InChIKeySJSDERWQBLATFZ-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.82
Rot. Bonds1

About 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole

3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole (PubChem CID 168941671) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole
PubChem CID168941671
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole
SMILESCc1cc(Cl)cc2c(C3CNC3)c[nH]c12
InChIInChI=1S/C12H13ClN2/c1-7-2-9(13)3-10-11(6-15-12(7)10)8-4-14-5-8/h2-3,6,8,14-15H,4-5H2,1H3
InChIKeySJSDERWQBLATFZ-UHFFFAOYSA-N
XLogP2.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole?
The IUPAC name of 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole (CID 168941671) is 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole.
What is the SMILES notation for 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole?
The canonical SMILES for 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole is Cc1cc(Cl)cc2c(C3CNC3)c[nH]c12.
What is the InChIKey of 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole?
The InChIKey is SJSDERWQBLATFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-2-9(13)3-10-11(6-15-12(7)10)8-4-14-5-8/h2-3,6,8,14-15H,4-5H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole?
3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole has a molecular weight of 220.70 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-chloro-7-methyl-1H-indole is sourced from PubChem (CID 168941671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).