4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C8H3Cl2F3N4 — CID 106768563

IUPAC4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H3Cl2F3N4/c9-4-2-14-17(3-4)6-1-5(10)15-7(16-6)8(11,12)13/h1-3H
InChIKeyNWJPOQLXCNZKKJ-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.99
Rot. Bonds1

About 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768563) has the molecular formula C8H3Cl2F3N4 and a molecular weight of 283.04 g/mol. Its IUPAC name is 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768563
Molecular FormulaC8H3Cl2F3N4
Molecular Weight283.04 g/mol
Exact Mass281.97
IUPAC Name4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H3Cl2F3N4/c9-4-2-14-17(3-4)6-1-5(10)15-7(16-6)8(11,12)13/h1-3H
InChIKeyNWJPOQLXCNZKKJ-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716271
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 80857762
4-chloro-1-(3,5-dichlorophenyl)pyrazole
CID 117063020
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 106768586
6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80856995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106768563) is 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is NWJPOQLXCNZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N4/c9-4-2-14-17(3-4)6-1-5(10)15-7(16-6)8(11,12)13/h1-3H.
What are the key properties of 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 283.04 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).