1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine

C15H13F3N2 — CID 167629812

IUPAC1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESCN1CC(c2cccc(C(F)(F)F)c2)c2cnccc21
InChIInChI=1S/C15H13F3N2/c1-20-9-13(12-8-19-6-5-14(12)20)10-3-2-4-11(7-10)15(16,17)18/h2-8,13H,9H2,1H3
InChIKeySUELXXAOHPYNMM-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.68
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine

1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine (PubChem CID 167629812) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine
PubChem CID167629812
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESCN1CC(c2cccc(C(F)(F)F)c2)c2cnccc21
InChIInChI=1S/C15H13F3N2/c1-20-9-13(12-8-19-6-5-14(12)20)10-3-2-4-11(7-10)15(16,17)18/h2-8,13H,9H2,1H3
InChIKeySUELXXAOHPYNMM-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine (CID 167629812) is 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine is CN1CC(c2cccc(C(F)(F)F)c2)c2cnccc21.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is SUELXXAOHPYNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2/c1-20-9-13(12-8-19-6-5-14(12)20)10-3-2-4-11(7-10)15(16,17)18/h2-8,13H,9H2,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine?
1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 278.28 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167629812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).