5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

C11H6Cl2N2O2 — CID 82168577

IUPAC5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)ncc1Cl
InChIInChI=1S/C11H6Cl2N2O2/c12-7-3-1-6(2-4-7)10-14-5-8(13)9(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyFWCNAQSBZQHEGV-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.15
Rot. Bonds2

About 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 82168577) has the molecular formula C11H6Cl2N2O2 and a molecular weight of 269.09 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
PubChem CID82168577
Molecular FormulaC11H6Cl2N2O2
Molecular Weight269.09 g/mol
Exact Mass267.98
IUPAC Name5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)ncc1Cl
InChIInChI=1S/C11H6Cl2N2O2/c12-7-3-1-6(2-4-7)10-14-5-8(13)9(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyFWCNAQSBZQHEGV-UHFFFAOYSA-N
XLogP3.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid (CID 82168577) is 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is FWCNAQSBZQHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2/c12-7-3-1-6(2-4-7)10-14-5-8(13)9(15-10)11(16)17/h1-5H,(H,16,17).
What are the key properties of 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 269.09 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).