2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C14H8F6N4O — CID 158834270

IUPAC2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)COc1cnccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H8F6N4O/c15-13(16,17)6-25-10-5-21-2-1-8(10)11-23-9-3-7(14(18,19)20)4-22-12(9)24-11/h1-5H,6H2,(H,22,23,24)
InChIKeyWJWXQQDRZBLOAE-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.98
Rot. Bonds3

About 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 158834270) has the molecular formula C14H8F6N4O and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID158834270
Molecular FormulaC14H8F6N4O
Molecular Weight362.23 g/mol
Exact Mass362.06
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)COc1cnccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C14H8F6N4O/c15-13(16,17)6-25-10-5-21-2-1-8(10)11-23-9-3-7(14(18,19)20)4-22-12(9)24-11/h1-5H,6H2,(H,22,23,24)
InChIKeyWJWXQQDRZBLOAE-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

5-ethylsulfanyl-6-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]pyridin-3-amine
CID 138577938
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
N-[4-fluoro-3-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155562516
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
N-[4-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide
CID 166432632
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine
CID 102548896
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 10308608
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269
2-[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 87195881
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 158834270) is 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)COc1cnccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is WJWXQQDRZBLOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O/c15-13(16,17)6-25-10-5-21-2-1-8(10)11-23-9-3-7(14(18,19)20)4-22-12(9)24-11/h1-5H,6H2,(H,22,23,24).
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 362.23 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 158834270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).