2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine

C9H6ClF3N4 — CID 71319131

IUPAC2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C9H6ClF3N4/c1-17-4-6(9(11,12)13)16-8(17)5-2-15-7(10)3-14-5/h2-4H,1H3
InChIKeyTWDHHOCCORKDKD-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.55
Rot. Bonds1

About 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine

2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine (PubChem CID 71319131) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
PubChem CID71319131
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(Cl)cn1
InChIInChI=1S/C9H6ClF3N4/c1-17-4-6(9(11,12)13)16-8(17)5-2-15-7(10)3-14-5/h2-4H,1H3
InChIKeyTWDHHOCCORKDKD-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
The IUPAC name of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine (CID 71319131) is 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine.
What is the SMILES notation for 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
The canonical SMILES for 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine is Cn1cc(C(F)(F)F)nc1-c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
The InChIKey is TWDHHOCCORKDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c1-17-4-6(9(11,12)13)16-8(17)5-2-15-7(10)3-14-5/h2-4H,1H3.
What are the key properties of 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine?
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine has a molecular weight of 262.62 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine is sourced from PubChem (CID 71319131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).