5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid

C11H5Cl3N2O2 — CID 82168579

IUPAC5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)ncc1Cl
InChIInChI=1S/C11H5Cl3N2O2/c12-6-2-1-5(3-7(6)13)10-15-4-8(14)9(16-10)11(17)18/h1-4H,(H,17,18)
InChIKeyPIVVYZOLRCIAFG-UHFFFAOYSA-N
MW303.53 g/mol
LogP3.80
Rot. Bonds2

About 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid

5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 82168579) has the molecular formula C11H5Cl3N2O2 and a molecular weight of 303.53 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
PubChem CID82168579
Molecular FormulaC11H5Cl3N2O2
Molecular Weight303.53 g/mol
Exact Mass301.94
IUPAC Name5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)ncc1Cl
InChIInChI=1S/C11H5Cl3N2O2/c12-6-2-1-5(3-7(6)13)10-15-4-8(14)9(16-10)11(17)18/h1-4H,(H,17,18)
InChIKeyPIVVYZOLRCIAFG-UHFFFAOYSA-N
XLogP3.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid (CID 82168579) is 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is PIVVYZOLRCIAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O2/c12-6-2-1-5(3-7(6)13)10-15-4-8(14)9(16-10)11(17)18/h1-4H,(H,17,18).
What are the key properties of 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid?
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 303.53 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).