6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C9H4ClF6N3 — CID 157033828

IUPAC6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Cn1nc(C(F)(F)F)c2cnc(Cl)cc21
InChIInChI=1S/C9H4ClF6N3/c10-6-1-5-4(2-17-6)7(9(14,15)16)18-19(5)3-8(11,12)13/h1-2H,3H2
InChIKeyYBSFMOCDEIUEJS-UHFFFAOYSA-N
MW303.59 g/mol
LogP3.67
Rot. Bonds1

About 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine

6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 157033828) has the molecular formula C9H4ClF6N3 and a molecular weight of 303.59 g/mol. Its IUPAC name is 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID157033828
Molecular FormulaC9H4ClF6N3
Molecular Weight303.59 g/mol
Exact Mass303.00
IUPAC Name6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)Cn1nc(C(F)(F)F)c2cnc(Cl)cc21
InChIInChI=1S/C9H4ClF6N3/c10-6-1-5-4(2-17-6)7(9(14,15)16)18-19(5)3-8(11,12)13/h1-2H,3H2
InChIKeyYBSFMOCDEIUEJS-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one
CID 157038129
3-fluoro-1-(2,2,2-trifluoroethyl)indazole
CID 157032549
[3-bromo-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 162486797
6-chloro-8-[(1S,2S)-2-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032619
3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde
CID 156901809
6-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-1-(2,2,2-trifluoroethyl)indazole-3-carbonitrile
CID 157033897
6-chloro-3-(trifluoromethylsulfanyl)-1-tritylpyrazolo[4,3-c]pyridine
CID 118271805
2-chloro-4-fluoro-5-[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethynyl]pyridine
CID 167426853
6-chloro-8-cyclopropylimidazo[1,2-b]pyridazine;3-chloro-1-(2,2,2-trifluoroethyl)indazole
CID 157035100
[3-[(2-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163860630
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 161440732

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 157033828) is 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is FC(F)(F)Cn1nc(C(F)(F)F)c2cnc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is YBSFMOCDEIUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF6N3/c10-6-1-5-4(2-17-6)7(9(14,15)16)18-19(5)3-8(11,12)13/h1-2H,3H2.
What are the key properties of 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 303.59 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 157033828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).