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

C12H11ClF3N3 — CID 102716260

IUPAC2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1C
InChIInChI=1S/C12H11ClF3N3/c1-6-7(2)18-19(8(6)3)11-5-9(12(14,15)16)4-10(13)17-11/h4-5H,1-3H3
InChIKeyCVLSIGNIHGFFLO-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.86
Rot. Bonds1

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

2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine (PubChem CID 102716260) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
PubChem CID102716260
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1C
InChIInChI=1S/C12H11ClF3N3/c1-6-7(2)18-19(8(6)3)11-5-9(12(14,15)16)4-10(13)17-11/h4-5H,1-3H3
InChIKeyCVLSIGNIHGFFLO-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.86
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-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 106773470
5-chloro-2-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 66233907
2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 113378224
3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 61256214
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 66328894
[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
CID 113378780
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
CID 21188130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine (CID 102716260) is 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine is Cc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1C.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
The InChIKey is CVLSIGNIHGFFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-6-7(2)18-19(8(6)3)11-5-9(12(14,15)16)4-10(13)17-11/h4-5H,1-3H3.
What are the key properties of 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine has a molecular weight of 289.69 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 102716260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).