6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

C16H11F3N4O — CID 16662142

IUPAC6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O/c1-2-24-14-4-3-9(5-10(14)16(17,18)19)11-6-12-15(22-8-21-12)13(7-20)23-11/h3-6,8H,2H2,1H3,(H,21,22)
InChIKeyYLCWNSOATBNCRX-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.91
Rot. Bonds3

About 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 16662142) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID16662142
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O/c1-2-24-14-4-3-9(5-10(14)16(17,18)19)11-6-12-15(22-8-21-12)13(7-20)23-11/h3-6,8H,2H2,1H3,(H,21,22)
InChIKeyYLCWNSOATBNCRX-UHFFFAOYSA-N
XLogP3.91
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile (CID 16662142) is 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is CCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F.
What is the InChIKey of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is YLCWNSOATBNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c1-2-24-14-4-3-9(5-10(14)16(17,18)19)11-6-12-15(22-8-21-12)13(7-20)23-11/h3-6,8H,2H2,1H3,(H,21,22).
What are the key properties of 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile?
6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 332.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-ethoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 16662142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).