7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole

C14H11F3N2O — CID 129133342

IUPAC7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole
SMILESCOc1cc2[nH]c3ccc(C)nc3c2cc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c1-7-3-4-10-13(18-7)8-5-9(14(15,16)17)12(20-2)6-11(8)19-10/h3-6,19H,1-2H3
InChIKeyPFYOEGWKJCPBSJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.05
Rot. Bonds1

About 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole

7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole (PubChem CID 129133342) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole
PubChem CID129133342
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole
SMILESCOc1cc2[nH]c3ccc(C)nc3c2cc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c1-7-3-4-10-13(18-7)8-5-9(14(15,16)17)12(20-2)6-11(8)19-10/h3-6,19H,1-2H3
InChIKeyPFYOEGWKJCPBSJ-UHFFFAOYSA-N
XLogP4.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole?
The IUPAC name of 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole (CID 129133342) is 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole?
The canonical SMILES for 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole is COc1cc2[nH]c3ccc(C)nc3c2cc1C(F)(F)F.
What is the InChIKey of 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole?
The InChIKey is PFYOEGWKJCPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-3-4-10-13(18-7)8-5-9(14(15,16)17)12(20-2)6-11(8)19-10/h3-6,19H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole?
7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole has a molecular weight of 280.25 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-8-(trifluoromethyl)-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 129133342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).