2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine

C13H14F3N3 — CID 104622377

IUPAC2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)C1CCCCC1c1nc2ncccc2[nH]1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-5-2-1-4-8(9)11-18-10-6-3-7-17-12(10)19-11/h3,6-9H,1-2,4-5H2,(H,17,18,19)
InChIKeyGWLPCDNNSXDJLE-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.79
Rot. Bonds1

About 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine

2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 104622377) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
PubChem CID104622377
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)C1CCCCC1c1nc2ncccc2[nH]1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)9-5-2-1-4-8(9)11-18-10-6-3-7-17-12(10)19-11/h3,6-9H,1-2,4-5H2,(H,17,18,19)
InChIKeyGWLPCDNNSXDJLE-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine (CID 104622377) is 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)C1CCCCC1c1nc2ncccc2[nH]1.
What is the InChIKey of 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is GWLPCDNNSXDJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)9-5-2-1-4-8(9)11-18-10-6-3-7-17-12(10)19-11/h3,6-9H,1-2,4-5H2,(H,17,18,19).
What are the key properties of 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine?
2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 269.27 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 104622377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).