1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one

C10H8F3N3O — CID 79872278

IUPAC1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one
SMILESCc1ccnc2nc(CC(=O)C(F)(F)F)[nH]c12
InChIInChI=1S/C10H8F3N3O/c1-5-2-3-14-9-8(5)15-7(16-9)4-6(17)10(11,12)13/h2-3H,4H2,1H3,(H,14,15,16)
InChIKeyYIZDSSVGJCXWHW-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.94
Rot. Bonds2

About 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one

1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one (PubChem CID 79872278) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one
PubChem CID79872278
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one
SMILESCc1ccnc2nc(CC(=O)C(F)(F)F)[nH]c12
InChIInChI=1S/C10H8F3N3O/c1-5-2-3-14-9-8(5)15-7(16-9)4-6(17)10(11,12)13/h2-3H,4H2,1H3,(H,14,15,16)
InChIKeyYIZDSSVGJCXWHW-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one (CID 79872278) is 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one is Cc1ccnc2nc(CC(=O)C(F)(F)F)[nH]c12.
What is the InChIKey of 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one?
The InChIKey is YIZDSSVGJCXWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-5-2-3-14-9-8(5)15-7(16-9)4-6(17)10(11,12)13/h2-3H,4H2,1H3,(H,14,15,16).
What are the key properties of 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one?
1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one has a molecular weight of 243.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)propan-2-one is sourced from PubChem (CID 79872278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).