2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid

C10H7BrN2O2S — CID 82490189

IUPAC2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid
SMILESO=C(O)Cc1nccnc1-c1cc(Br)cs1
InChIInChI=1S/C10H7BrN2O2S/c11-6-3-8(16-5-6)10-7(4-9(14)15)12-1-2-13-10/h1-3,5H,4H2,(H,14,15)
InChIKeyNRKHHUHGDPIOKL-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.59
Rot. Bonds3

About 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid

2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid (PubChem CID 82490189) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid
PubChem CID82490189
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC Name2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid
SMILESO=C(O)Cc1nccnc1-c1cc(Br)cs1
InChIInChI=1S/C10H7BrN2O2S/c11-6-3-8(16-5-6)10-7(4-9(14)15)12-1-2-13-10/h1-3,5H,4H2,(H,14,15)
InChIKeyNRKHHUHGDPIOKL-UHFFFAOYSA-N
XLogP2.59
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
CID 82490190
3-[4-(4-bromothiophen-2-yl)-1H-imidazol-5-yl]propanoic acid
CID 82308411
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64662294
2-[3-(4-ethylphenyl)pyrazin-2-yl]acetic acid
CID 82477699
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
CID 116899757
2-([1,3]thiazolo[4,5-c]pyridin-4-yl)acetic acid
CID 76850504
2-thieno[3,4-c]pyridin-4-ylacetic acid
CID 82402110
5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
CID 146050007
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
5-(4-bromothiophen-2-yl)-1,3-oxazole-4-carboxylic acid
CID 83558038
3-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]butanoic acid
CID 116889231

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid?
The IUPAC name of 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid (CID 82490189) is 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid is O=C(O)Cc1nccnc1-c1cc(Br)cs1.
What is the InChIKey of 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid?
The InChIKey is NRKHHUHGDPIOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-6-3-8(16-5-6)10-7(4-9(14)15)12-1-2-13-10/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid?
2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid has a molecular weight of 299.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromothiophen-2-yl)pyrazin-2-yl]acetic acid is sourced from PubChem (CID 82490189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).