5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole

C13H8ClF2N3O — CID 134576065

IUPAC5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole
SMILESCc1cc2c(F)c(Oc3cc(Cl)ncn3)cc(F)c2[nH]1
InChIInChI=1S/C13H8ClF2N3O/c1-6-2-7-12(16)9(3-8(15)13(7)19-6)20-11-4-10(14)17-5-18-11/h2-5,19H,1H3
InChIKeyUFVVTCPZABGABO-UHFFFAOYSA-N
MW295.68 g/mol
LogP3.99
Rot. Bonds2

About 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole

5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole (PubChem CID 134576065) has the molecular formula C13H8ClF2N3O and a molecular weight of 295.68 g/mol. Its IUPAC name is 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole
PubChem CID134576065
Molecular FormulaC13H8ClF2N3O
Molecular Weight295.68 g/mol
Exact Mass295.03
IUPAC Name5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole
SMILESCc1cc2c(F)c(Oc3cc(Cl)ncn3)cc(F)c2[nH]1
InChIInChI=1S/C13H8ClF2N3O/c1-6-2-7-12(16)9(3-8(15)13(7)19-6)20-11-4-10(14)17-5-18-11/h2-5,19H,1H3
InChIKeyUFVVTCPZABGABO-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole?
The IUPAC name of 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole (CID 134576065) is 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole.
What is the SMILES notation for 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole?
The canonical SMILES for 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole is Cc1cc2c(F)c(Oc3cc(Cl)ncn3)cc(F)c2[nH]1.
What is the InChIKey of 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole?
The InChIKey is UFVVTCPZABGABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O/c1-6-2-7-12(16)9(3-8(15)13(7)19-6)20-11-4-10(14)17-5-18-11/h2-5,19H,1H3.
What are the key properties of 5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole?
5-(6-chloropyrimidin-4-yl)oxy-4,7-difluoro-2-methyl-1H-indole has a molecular weight of 295.68 g/mol, XLogP of 3.99, 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-4,7-difluoro-2-methyl-1H-indole is sourced from PubChem (CID 134576065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).