2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid

C6H5Br2N3O2 — CID 86654274

IUPAC2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(Br)nc1Br
InChIInChI=1S/C6H5Br2N3O2/c7-3-1-9-6(5(8)11-3)10-2-4(12)13/h1H,2H2,(H,9,10)(H,12,13)
InChIKeyFSBFCIASFLXVFB-UHFFFAOYSA-N
MW310.93 g/mol
LogP1.50
Rot. Bonds3

About 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid

2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid (PubChem CID 86654274) has the molecular formula C6H5Br2N3O2 and a molecular weight of 310.93 g/mol. Its IUPAC name is 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid
PubChem CID86654274
Molecular FormulaC6H5Br2N3O2
Molecular Weight310.93 g/mol
Exact Mass308.87
IUPAC Name2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncc(Br)nc1Br
InChIInChI=1S/C6H5Br2N3O2/c7-3-1-9-6(5(8)11-3)10-2-4(12)13/h1H,2H2,(H,9,10)(H,12,13)
InChIKeyFSBFCIASFLXVFB-UHFFFAOYSA-N
XLogP1.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid
CID 175594359
5-[(3,5-dibromopyrazin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 114074005
1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one
CID 20823758
1-bromo(1,2-13C2)propan-2-one;3,5-dibromopyrazin-2-amine;ethyl 2-[(3,5-dibromopyrazin-2-yl)amino]acetate
CID 159283940
4-amino-N-(3,5-dibromopyrazin-2-yl)-4-methylpentanamide
CID 114074171
ethyl 2-[[5-bromo-3-[(4-methoxycyclohexyl)amino]pyrazin-2-yl]amino]acetate;ethyl 2-[(3,5-dibromopyrazin-2-yl)amino]acetate;4-methoxycyclohexan-1-amine;hydrochloride
CID 158347552
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
CID 103756307
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate
CID 114073780
N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide
CID 103756213

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid (CID 86654274) is 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid is O=C(O)CNc1ncc(Br)nc1Br.
What is the InChIKey of 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid?
The InChIKey is FSBFCIASFLXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N3O2/c7-3-1-9-6(5(8)11-3)10-2-4(12)13/h1H,2H2,(H,9,10)(H,12,13).
What are the key properties of 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid?
2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid has a molecular weight of 310.93 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromopyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 86654274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).