methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate

C11H13BrFN3O2 — CID 142599995

IUPACmethyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(c2cnc(Br)c(F)n2)C1
InChIInChI=1S/C11H13BrFN3O2/c1-18-9(17)4-7-2-3-16(6-7)8-5-14-10(12)11(13)15-8/h5,7H,2-4,6H2,1H3
InChIKeyNMYGZWBAHUEWDZ-UHFFFAOYSA-N
MW318.15 g/mol
LogP1.77
Rot. Bonds3

About methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate

methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate (PubChem CID 142599995) has the molecular formula C11H13BrFN3O2 and a molecular weight of 318.15 g/mol. Its IUPAC name is methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate
PubChem CID142599995
Molecular FormulaC11H13BrFN3O2
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Namemethyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(c2cnc(Br)c(F)n2)C1
InChIInChI=1S/C11H13BrFN3O2/c1-18-9(17)4-7-2-3-16(6-7)8-5-14-10(12)11(13)15-8/h5,7H,2-4,6H2,1H3
InChIKeyNMYGZWBAHUEWDZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 2-[(3R)-1-[6-chloro-5-cyano-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetate
CID 146423121
methyl 2-[(3S)-1-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetate
CID 136699242
methyl (3S)-1-(5-bromo-6-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 154635467
methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
CID 72839733
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]acetate
CID 135277813
methyl 2-[1-[5-(cyclohexylcarbamoyl)-4-propylsulfanylpyrimidin-2-yl]piperidin-3-yl]acetate
CID 66877115
ethane;ethyl 2-[1-(6-bromo-2-ethyl-4-fluoro-3-pyridinyl)piperidin-3-yl]acetate
CID 162730128
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate (CID 142599995) is methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate is COC(=O)CC1CCN(c2cnc(Br)c(F)n2)C1.
What is the InChIKey of methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate?
The InChIKey is NMYGZWBAHUEWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O2/c1-18-9(17)4-7-2-3-16(6-7)8-5-14-10(12)11(13)15-8/h5,7H,2-4,6H2,1H3.
What are the key properties of methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate?
methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate has a molecular weight of 318.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-bromo-6-fluoropyrazin-2-yl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 142599995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).