2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine

C9H4ClF3IN3 — CID 102716271

IUPAC2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(-n2cc(I)cn2)c1
InChIInChI=1S/C9H4ClF3IN3/c10-7-1-5(9(11,12)13)2-8(16-7)17-4-6(14)3-15-17/h1-4H
InChIKeyQWANJMZFVYDOFA-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.54
Rot. Bonds1

About 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine

2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102716271) has the molecular formula C9H4ClF3IN3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID102716271
Molecular FormulaC9H4ClF3IN3
Molecular Weight373.50 g/mol
Exact Mass372.91
IUPAC Name2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(-n2cc(I)cn2)c1
InChIInChI=1S/C9H4ClF3IN3/c10-7-1-5(9(11,12)13)2-8(16-7)17-4-6(14)3-15-17/h1-4H
InChIKeyQWANJMZFVYDOFA-UHFFFAOYSA-N
XLogP3.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-iodopyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562968
4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768563
2-chloro-5-(4-iodopyrazol-1-yl)pyrazine
CID 130799909
4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 113378886
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
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
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
5-tert-butyl-2-(4-iodopyrazol-1-yl)pyridine
CID 107875276
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 102716274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine (CID 102716271) is 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(-n2cc(I)cn2)c1.
What is the InChIKey of 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is QWANJMZFVYDOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3IN3/c10-7-1-5(9(11,12)13)2-8(16-7)17-4-6(14)3-15-17/h1-4H.
What are the key properties of 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 373.50 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).