2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine

C9H6ClF3N4 — CID 118094924

IUPAC2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine
SMILESCc1nc(C(F)(F)F)cn1-c1cncc(Cl)n1
InChIInChI=1S/C9H6ClF3N4/c1-5-15-6(9(11,12)13)4-17(5)8-3-14-2-7(10)16-8/h2-4H,1H3
InChIKeyYNTLAVKCKVHBRP-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.64
Rot. Bonds1

About 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine

2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine (PubChem CID 118094924) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine
PubChem CID118094924
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine
SMILESCc1nc(C(F)(F)F)cn1-c1cncc(Cl)n1
InChIInChI=1S/C9H6ClF3N4/c1-5-15-6(9(11,12)13)4-17(5)8-3-14-2-7(10)16-8/h2-4H,1H3
InChIKeyYNTLAVKCKVHBRP-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethyl)imidazo[1,2-a]pyrazine
CID 3231306
8-Chloro-3-methylimidazo[1,2-a]pyrazine
CID 15149680
5-[[1-(Difluoromethyl)imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 178293357
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164682792
7-[(5-chloro-1-methylimidazol-2-yl)methyl]-2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 53538884
8-Chloro-3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 20299633
4-(Chloromethyl)-1-methyl-2-(trifluoromethyl)imidazole
CID 21698175
5-chloro-1-methyl-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]imidazole
CID 23199629
8-Chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 46864112
8-Methyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 46864117
6-Chloro-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 54170062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine (CID 118094924) is 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine is Cc1nc(C(F)(F)F)cn1-c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine?
The InChIKey is YNTLAVKCKVHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c1-5-15-6(9(11,12)13)4-17(5)8-3-14-2-7(10)16-8/h2-4H,1H3.
What are the key properties of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine?
2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine has a molecular weight of 262.62 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine is sourced from PubChem (CID 118094924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).