2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C10H8F3N3O2S — CID 2745078

IUPAC2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCn1c(SCC(=O)O)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C10H8F3N3O2S/c1-16-8-6(15-9(16)19-4-7(17)18)2-5(3-14-8)10(11,12)13/h2-3H,4H2,1H3,(H,17,18)
InChIKeyPRYLJZMXNJIWEY-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.16
Rot. Bonds3

About 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 2745078) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID2745078
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCn1c(SCC(=O)O)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C10H8F3N3O2S/c1-16-8-6(15-9(16)19-4-7(17)18)2-5(3-14-8)10(11,12)13/h2-3H,4H2,1H3,(H,17,18)
InChIKeyPRYLJZMXNJIWEY-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 2745078) is 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is Cn1c(SCC(=O)O)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is PRYLJZMXNJIWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-16-8-6(15-9(16)19-4-7(17)18)2-5(3-14-8)10(11,12)13/h2-3H,4H2,1H3,(H,17,18).
What are the key properties of 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 291.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 2745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).