2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid

C10H7BrN2O2S — CID 82490188

IUPAC2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C10H7BrN2O2S/c11-8-2-1-7(16-8)6-3-4-12-9(13-6)5-10(14)15/h1-4H,5H2,(H,14,15)
InChIKeyRWYMEPHYKWVHKV-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid

2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid (PubChem CID 82490188) has the molecular formula C10H7BrN2O2S and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
PubChem CID82490188
Molecular FormulaC10H7BrN2O2S
Molecular Weight299.15 g/mol
Exact Mass297.94
IUPAC Name2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C10H7BrN2O2S/c11-8-2-1-7(16-8)6-3-4-12-9(13-6)5-10(14)15/h1-4H,5H2,(H,14,15)
InChIKeyRWYMEPHYKWVHKV-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
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]acetic acid
CID 116894080
3-amino-3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propanoic acid
CID 116902332
2-[4-(4-methylphenyl)pyrimidin-2-yl]acetic acid
CID 82391246
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
3-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116898266
2-[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]acetic acid
CID 82488194
4-(5-bromothiophen-2-yl)-2-chloropyrimidine
CID 15141655
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794
2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid
CID 116878592
2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]acetic acid
CID 82483287
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
CID 84661261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid (CID 82490188) is 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid is O=C(O)Cc1nccc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is RWYMEPHYKWVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2S/c11-8-2-1-7(16-8)6-3-4-12-9(13-6)5-10(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid?
2-[4-(5-bromothiophen-2-yl)pyrimidin-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-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 82490188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).