6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid

C10H7ClN2O2S — CID 165448706

IUPAC6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)cc(C(=O)O)n2)s1
InChIInChI=1S/C10H7ClN2O2S/c1-5-2-3-7(16-5)9-12-6(10(14)15)4-8(11)13-9/h2-4H,1H3,(H,14,15)
InChIKeyHZXBCSVZBQLSJF-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.87
Rot. Bonds2

About 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid

6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid (PubChem CID 165448706) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
PubChem CID165448706
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)cc(C(=O)O)n2)s1
InChIInChI=1S/C10H7ClN2O2S/c1-5-2-3-7(16-5)9-12-6(10(14)15)4-8(11)13-9/h2-4H,1H3,(H,14,15)
InChIKeyHZXBCSVZBQLSJF-UHFFFAOYSA-N
XLogP2.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid (CID 165448706) is 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid is Cc1ccc(-c2nc(Cl)cc(C(=O)O)n2)s1.
What is the InChIKey of 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
The InChIKey is HZXBCSVZBQLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c1-5-2-3-7(16-5)9-12-6(10(14)15)4-8(11)13-9/h2-4H,1H3,(H,14,15).
What are the key properties of 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid has a molecular weight of 254.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165448706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).