3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine

C12H6F7N3 — CID 159147734

IUPAC3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine
SMILESCc1cc(-c2cnc(C(F)(F)F)c(F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H6F7N3/c1-5-2-6(3-8(21-5)11(14,15)16)7-4-20-9(10(13)22-7)12(17,18)19/h2-4H,1H3
InChIKeyHSZUJRRRHFKFNW-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.02
Rot. Bonds1

About 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine

3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine (PubChem CID 159147734) has the molecular formula C12H6F7N3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine
PubChem CID159147734
Molecular FormulaC12H6F7N3
Molecular Weight325.19 g/mol
Exact Mass325.04
IUPAC Name3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine
SMILESCc1cc(-c2cnc(C(F)(F)F)c(F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H6F7N3/c1-5-2-6(3-8(21-5)11(14,15)16)7-4-20-9(10(13)22-7)12(17,18)19/h2-4H,1H3
InChIKeyHSZUJRRRHFKFNW-UHFFFAOYSA-N
XLogP4.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine
CID 158536162
5-methyl-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidine
CID 157058783
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
6-(1-methylpyrazol-3-yl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 137372534
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
CID 89320814
5-(2-bromo-3-fluoro-6-methyl-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
CID 122456058
3-[2-amino-6-(4-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-yl]oxypropane-1-sulfonamide
CID 163881932
7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142426966

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine?
The IUPAC name of 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine (CID 159147734) is 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine.
What is the SMILES notation for 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine?
The canonical SMILES for 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine is Cc1cc(-c2cnc(C(F)(F)F)c(F)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine?
The InChIKey is HSZUJRRRHFKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F7N3/c1-5-2-6(3-8(21-5)11(14,15)16)7-4-20-9(10(13)22-7)12(17,18)19/h2-4H,1H3.
What are the key properties of 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine?
3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine has a molecular weight of 325.19 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)pyrazine is sourced from PubChem (CID 159147734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).