1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine

C11H11F3N2 — CID 163434027

IUPAC1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine
SMILESCc1cn(C)c2c(C)nc(C(F)(F)F)cc12
InChIInChI=1S/C11H11F3N2/c1-6-5-16(3)10-7(2)15-9(4-8(6)10)11(12,13)14/h4-5H,1-3H3
InChIKeyASXYLIXXVPMZLI-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.21
Rot. Bonds

About 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine

1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine (PubChem CID 163434027) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine
PubChem CID163434027
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine
SMILESCc1cn(C)c2c(C)nc(C(F)(F)F)cc12
InChIInChI=1S/C11H11F3N2/c1-6-5-16(3)10-7(2)15-9(4-8(6)10)11(12,13)14/h4-5H,1-3H3
InChIKeyASXYLIXXVPMZLI-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine (CID 163434027) is 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine is Cc1cn(C)c2c(C)nc(C(F)(F)F)cc12.
What is the InChIKey of 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is ASXYLIXXVPMZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-6-5-16(3)10-7(2)15-9(4-8(6)10)11(12,13)14/h4-5H,1-3H3.
What are the key properties of 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine?
1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 228.22 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163434027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).