3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine

C14H9F3IN3O — CID 134544078

IUPAC3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESFC(F)(F)COc1ccc(-c2ccn3ncc(I)c3c2)cn1
InChIInChI=1S/C14H9F3IN3O/c15-14(16,17)8-22-13-2-1-10(6-19-13)9-3-4-21-12(5-9)11(18)7-20-21/h1-7H,8H2
InChIKeyFTPUURVVLLBGAQ-UHFFFAOYSA-N
MW419.14 g/mol
LogP3.94
Rot. Bonds3

About 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine

3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine (PubChem CID 134544078) has the molecular formula C14H9F3IN3O and a molecular weight of 419.14 g/mol. Its IUPAC name is 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
PubChem CID134544078
Molecular FormulaC14H9F3IN3O
Molecular Weight419.14 g/mol
Exact Mass418.97
IUPAC Name3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESFC(F)(F)COc1ccc(-c2ccn3ncc(I)c3c2)cn1
InChIInChI=1S/C14H9F3IN3O/c15-14(16,17)8-22-13-2-1-10(6-19-13)9-3-4-21-12(5-9)11(18)7-20-21/h1-7H,8H2
InChIKeyFTPUURVVLLBGAQ-UHFFFAOYSA-N
XLogP3.94
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 142362542
6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-1-(2,2,2-trifluoroethyl)benzotriazole;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-(2,2,2-trifluoroethyl)benzotriazole
CID 142449950
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile
CID 170800582
3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 142113663
N-(1-methyl-1,2,4-triazol-4-ium-4-yl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzenecarboximidate
CID 167661997
5-[1-[2-fluoro-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-1-methoxy-2,2-dimethylpropyl]pyrimidine
CID 118443476
9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973585
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
5-iodo-4-methyl-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]pyrimidine
CID 162564069

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine (CID 134544078) is 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine is FC(F)(F)COc1ccc(-c2ccn3ncc(I)c3c2)cn1.
What is the InChIKey of 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The InChIKey is FTPUURVVLLBGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3IN3O/c15-14(16,17)8-22-13-2-1-10(6-19-13)9-3-4-21-12(5-9)11(18)7-20-21/h1-7H,8H2.
What are the key properties of 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine?
3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine has a molecular weight of 419.14 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134544078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).