6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine

C10H10F3N3 — CID 79796392

IUPAC6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H10F3N3/c1-6-4-7-9(14-5-6)16-8(15-7)2-3-10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyFSIPLICMARZQBD-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.76
Rot. Bonds2

About 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine

6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 79796392) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine
PubChem CID79796392
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C10H10F3N3/c1-6-4-7-9(14-5-6)16-8(15-7)2-3-10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15,16)
InChIKeyFSIPLICMARZQBD-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine (CID 79796392) is 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(CCC(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is FSIPLICMARZQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-6-4-7-9(14-5-6)16-8(15-7)2-3-10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine?
6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 229.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79796392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).