4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid

C9H5BrN2O2S — CID 116899757

IUPAC4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C9H5BrN2O2S/c10-5-3-7(15-4-5)6-1-2-11-8(12-6)9(13)14/h1-4H,(H,13,14)
InChIKeyDJYKXAYAIJRTRD-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid

4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid (PubChem CID 116899757) has the molecular formula C9H5BrN2O2S and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
PubChem CID116899757
Molecular FormulaC9H5BrN2O2S
Molecular Weight285.12 g/mol
Exact Mass283.93
IUPAC Name4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2cc(Br)cs2)n1
InChIInChI=1S/C9H5BrN2O2S/c10-5-3-7(15-4-5)6-1-2-11-8(12-6)9(13)14/h1-4H,(H,13,14)
InChIKeyDJYKXAYAIJRTRD-UHFFFAOYSA-N
XLogP2.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.67
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-(4-bromothiophen-2-yl)pyrimidin-2-yl]-2-(methylamino)acetic acid
CID 116903492
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903564
4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
CID 116899778
methyl 3-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]propanoate
CID 116901318
6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
CID 107355263
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 107355306
6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 107355251
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
3-(4-bromothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82307650
2-(4-bromothiophen-2-yl)-5,8-difluoroquinoline-4-carboxylic acid
CID 107354658

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid (CID 116899757) is 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2cc(Br)cs2)n1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid?
The InChIKey is DJYKXAYAIJRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O2S/c10-5-3-7(15-4-5)6-1-2-11-8(12-6)9(13)14/h1-4H,(H,13,14).
What are the key properties of 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid?
4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid has a molecular weight of 285.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116899757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).