5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole

C13H9ClFN3O — CID 122521128

IUPAC5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole
SMILESCc1cc2c(F)c(Oc3cc(Cl)ncn3)ccc2[nH]1
InChIInChI=1S/C13H9ClFN3O/c1-7-4-8-9(18-7)2-3-10(13(8)15)19-12-5-11(14)16-6-17-12/h2-6,18H,1H3
InChIKeyGMGMZIOXQJHBLW-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.85
Rot. Bonds2

About 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole

5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole (PubChem CID 122521128) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole
PubChem CID122521128
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole
SMILESCc1cc2c(F)c(Oc3cc(Cl)ncn3)ccc2[nH]1
InChIInChI=1S/C13H9ClFN3O/c1-7-4-8-9(18-7)2-3-10(13(8)15)19-12-5-11(14)16-6-17-12/h2-6,18H,1H3
InChIKeyGMGMZIOXQJHBLW-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole?
The IUPAC name of 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole (CID 122521128) is 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole.
What is the SMILES notation for 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole?
The canonical SMILES for 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole is Cc1cc2c(F)c(Oc3cc(Cl)ncn3)ccc2[nH]1.
What is the InChIKey of 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole?
The InChIKey is GMGMZIOXQJHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c1-7-4-8-9(18-7)2-3-10(13(8)15)19-12-5-11(14)16-6-17-12/h2-6,18H,1H3.
What are the key properties of 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole?
5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole has a molecular weight of 277.69 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole is sourced from PubChem (CID 122521128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).