2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole

C13H6F6N2 — CID 8005164

IUPAC2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2c(n1)[nH]c1ccccc12
InChIInChI=1S/C13H6F6N2/c14-12(15,16)7-5-9(13(17,18)19)21-11-10(7)6-3-1-2-4-8(6)20-11/h1-5H,(H,20,21)
InChIKeyHIJZEWFCNBUYLK-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.75
Rot. Bonds

About 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole

2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole (PubChem CID 8005164) has the molecular formula C13H6F6N2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole
PubChem CID8005164
Molecular FormulaC13H6F6N2
Molecular Weight304.19 g/mol
Exact Mass304.04
IUPAC Name2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2c(n1)[nH]c1ccccc12
InChIInChI=1S/C13H6F6N2/c14-12(15,16)7-5-9(13(17,18)19)21-11-10(7)6-3-1-2-4-8(6)20-11/h1-5H,(H,20,21)
InChIKeyHIJZEWFCNBUYLK-UHFFFAOYSA-N
XLogP4.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole (CID 8005164) is 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole is FC(F)(F)c1cc(C(F)(F)F)c2c(n1)[nH]c1ccccc12.
What is the InChIKey of 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole?
The InChIKey is HIJZEWFCNBUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N2/c14-12(15,16)7-5-9(13(17,18)19)21-11-10(7)6-3-1-2-4-8(6)20-11/h1-5H,(H,20,21).
What are the key properties of 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole?
2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole has a molecular weight of 304.19 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 8005164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).