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

C11H8BrClF3N3 — CID 102716266

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1Br
InChIInChI=1S/C11H8BrClF3N3/c1-5-10(12)6(2)19(18-5)9-4-7(11(14,15)16)3-8(13)17-9/h3-4H,1-2H3
InChIKeyPZYLJKMHYNPSEO-UHFFFAOYSA-N
MW354.56 g/mol
LogP4.32
Rot. Bonds1

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine (PubChem CID 102716266) has the molecular formula C11H8BrClF3N3 and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
PubChem CID102716266
Molecular FormulaC11H8BrClF3N3
Molecular Weight354.56 g/mol
Exact Mass352.95
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1Br
InChIInChI=1S/C11H8BrClF3N3/c1-5-10(12)6(2)19(18-5)9-4-7(11(14,15)16)3-8(13)17-9/h3-4H,1-2H3
InChIKeyPZYLJKMHYNPSEO-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.32
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-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 66328894
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
CID 80945243
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566088
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 80856780
7-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919252
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
CID 65485777
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
CID 83267145

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine (CID 102716266) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine is Cc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine?
The InChIKey is PZYLJKMHYNPSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClF3N3/c1-5-10(12)6(2)19(18-5)9-4-7(11(14,15)16)3-8(13)17-9/h3-4H,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine has a molecular weight of 354.56 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).