2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine

C13H13ClF3N3 — CID 102716261

IUPAC2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCCc1c(C)nn(-c2cc(C(F)(F)F)cc(Cl)n2)c1C
InChIInChI=1S/C13H13ClF3N3/c1-4-10-7(2)19-20(8(10)3)12-6-9(13(15,16)17)5-11(14)18-12/h5-6H,4H2,1-3H3
InChIKeyROZFOECTEZSFKY-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine

2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102716261) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID102716261
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCCc1c(C)nn(-c2cc(C(F)(F)F)cc(Cl)n2)c1C
InChIInChI=1S/C13H13ClF3N3/c1-4-10-7(2)19-20(8(10)3)12-6-9(13(15,16)17)5-11(14)18-12/h5-6H,4H2,1-3H3
InChIKeyROZFOECTEZSFKY-UHFFFAOYSA-N
XLogP4.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.12
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

2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716265
2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 102716260
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566076
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
3-chloro-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1,2,4-triazine
CID 115001250
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
3-(chloromethyl)-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridazine
CID 61256222
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
CID 62477705
3-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-ethyl-6-methylquinazolin-4-one
CID 52933882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (CID 102716261) is 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is CCc1c(C)nn(-c2cc(C(F)(F)F)cc(Cl)n2)c1C.
What is the InChIKey of 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is ROZFOECTEZSFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-4-10-7(2)19-20(8(10)3)12-6-9(13(15,16)17)5-11(14)18-12/h5-6H,4H2,1-3H3.
What are the key properties of 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 303.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).