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

C11H6Cl2N2O2 — CID 156842574

IUPAC5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(-c2ccccc2Cl)n1
InChIInChI=1S/C11H6Cl2N2O2/c12-7-4-2-1-3-6(7)9-8(13)5-14-10(15-9)11(16)17/h1-5H,(H,16,17)
InChIKeyDLKLHJODRIASFB-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.15
Rot. Bonds2

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

5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid (PubChem CID 156842574) has the molecular formula C11H6Cl2N2O2 and a molecular weight of 269.09 g/mol. Its IUPAC name is 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
PubChem CID156842574
Molecular FormulaC11H6Cl2N2O2
Molecular Weight269.09 g/mol
Exact Mass267.98
IUPAC Name5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(-c2ccccc2Cl)n1
InChIInChI=1S/C11H6Cl2N2O2/c12-7-4-2-1-3-6(7)9-8(13)5-14-10(15-9)11(16)17/h1-5H,(H,16,17)
InChIKeyDLKLHJODRIASFB-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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Related Compounds

5-chloro-4-phenylpyrimidine-2-carboxylic acid
CID 156842588
5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
CID 156842759
5-chloro-4-(3-methylphenyl)pyrimidine-2-carboxylic acid
CID 156842703
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
4-(2-chlorophenyl)-5-methyl-1H-imidazole-2-carboxylic acid
CID 105498309
4-(2-chlorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22831559
5,6-bis(2-chlorophenyl)-N-phenylpyrazine-2-carboxamide
CID 10310004
2-(bromomethyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 141320592
4-(2-fluorophenyl)-5-(trideuteriomethyl)pyrimidine-2-carboxylic acid
CID 156842541
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid (CID 156842574) is 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid is O=C(O)c1ncc(Cl)c(-c2ccccc2Cl)n1.
What is the InChIKey of 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid?
The InChIKey is DLKLHJODRIASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2/c12-7-4-2-1-3-6(7)9-8(13)5-14-10(15-9)11(16)17/h1-5H,(H,16,17).
What are the key properties of 5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid?
5-chloro-4-(2-chlorophenyl)pyrimidine-2-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-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).