4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

C11H6Cl2N2O3 — CID 28799456

IUPAC4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(=O)[nH]1
InChIInChI=1S/C11H6Cl2N2O3/c12-6-2-1-5(3-7(6)13)8-4-9(10(16)17)15-11(18)14-8/h1-4H,(H,16,17)(H,14,15,18)
InChIKeyHWRUUTHVTPWMEV-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.44
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 28799456) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID28799456
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(=O)[nH]1
InChIInChI=1S/C11H6Cl2N2O3/c12-6-2-1-5(3-7(6)13)8-4-9(10(16)17)15-11(18)14-8/h1-4H,(H,16,17)(H,14,15,18)
InChIKeyHWRUUTHVTPWMEV-UHFFFAOYSA-N
XLogP2.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81346262
4-(2-chloro-4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81346342
4-(2,4-dichloro-5-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81346491
5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 144633161
2-Amino-4-(3,4-dichlorophenyl)-4-methyliminobut-2-enoic acid
CID 173503023
4-[3-Chloro-4-[cyclopropyl(methyl)boranyl]phenyl]-1,2-dihydropyrimidine-6-carboxylic acid
CID 173678393
4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799417
4-(4-chlorophenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
CID 39365810
4-(3-chlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81345636
4-(2,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81345642
4-(4-chlorophenyl)-5-methyl-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81346193
4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 81346343

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (CID 28799456) is 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(=O)[nH]1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is HWRUUTHVTPWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-6-2-1-5(3-7(6)13)8-4-9(10(16)17)15-11(18)14-8/h1-4H,(H,16,17)(H,14,15,18).
What are the key properties of 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 285.09 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28799456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).