2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine

C11H13ClF3N3 — CID 114271950

IUPAC2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
SMILESCc1nc(Cl)c(N2CCC(C(F)(F)F)C2)nc1C
InChIInChI=1S/C11H13ClF3N3/c1-6-7(2)17-10(9(12)16-6)18-4-3-8(5-18)11(13,14)15/h8H,3-5H2,1-2H3
InChIKeyBGJJQOUTHQLZTG-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.14
Rot. Bonds1

About 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine

2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine (PubChem CID 114271950) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
PubChem CID114271950
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
SMILESCc1nc(Cl)c(N2CCC(C(F)(F)F)C2)nc1C
InChIInChI=1S/C11H13ClF3N3/c1-6-7(2)17-10(9(12)16-6)18-4-3-8(5-18)11(13,14)15/h8H,3-5H2,1-2H3
InChIKeyBGJJQOUTHQLZTG-UHFFFAOYSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
2-chloro-3-(3,4-dimethylpyrrolidin-1-yl)-5,6-dimethylpyrazine
CID 79181070
2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
CID 121201202
5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171691304
5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 162444888
4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine
CID 114043961
2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
CID 123785451
CID 123785451
(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 172646099
5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80847602
5-methyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]aniline
CID 114271751
[6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazin-2-yl]methanol
CID 114271971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine (CID 114271950) is 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine is Cc1nc(Cl)c(N2CCC(C(F)(F)F)C2)nc1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is BGJJQOUTHQLZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-6-7(2)17-10(9(12)16-6)18-4-3-8(5-18)11(13,14)15/h8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 279.69 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 114271950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).