3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine

C11H9ClF3N3O — CID 70791473

IUPAC3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine
SMILESCCc1cc(OC(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C11H9ClF3N3O/c1-2-7-6-9(19-11(13,14)15)17-18(7)10-8(12)4-3-5-16-10/h3-6H,2H2,1H3
InChIKeyBWDCESLGTFXEHE-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.38
Rot. Bonds3

About 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine

3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine (PubChem CID 70791473) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine
PubChem CID70791473
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine
SMILESCCc1cc(OC(F)(F)F)nn1-c1ncccc1Cl
InChIInChI=1S/C11H9ClF3N3O/c1-2-7-6-9(19-11(13,14)15)17-18(7)10-8(12)4-3-5-16-10/h3-6H,2H2,1H3
InChIKeyBWDCESLGTFXEHE-UHFFFAOYSA-N
XLogP3.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-chloropyridine
CID 118430616
3-Chloro-2-[3-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-trifluoromethyl-pyridine
CID 15956838
2-(3-Chlorophenyl)-5-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 15452281
2-(6-Chloropyridin-3-yl)-4-methyl-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 17777667
3-(3-fluoro-5chloro-2-pyridyl)-5-difluoromethoxy-1-methyl-[1H]-pyrazole
CID 21712132
1-Pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
CID 22090459
3-Chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine
CID 54060406
1-[1-(3-Chloro-2-pyridinyl)-3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-5-yl]ethanone
CID 57780256
6-[3-Ethoxy-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 57861900
2-[5-Tert-butyl-3-(trifluoromethoxy)pyrazol-1-yl]-3-chloropyridine
CID 58157327
2-[5-Tert-butyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]-3-chloropyridine
CID 58157408
1-[1-(3-Chloro-2-pyridinyl)-3-(1,1,2-trifluoro-2-methoxyethoxy)pyrazol-5-yl]ethanone
CID 58202286

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine (CID 70791473) is 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine is CCc1cc(OC(F)(F)F)nn1-c1ncccc1Cl.
What is the InChIKey of 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine?
The InChIKey is BWDCESLGTFXEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c1-2-7-6-9(19-11(13,14)15)17-18(7)10-8(12)4-3-5-16-10/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine?
3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine has a molecular weight of 291.66 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine is sourced from PubChem (CID 70791473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).