2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid

C7H4Cl2N2O4 — CID 166072347

IUPAC2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid
SMILESCOC(=O)c1c(Cl)nc(Cl)nc1C(=O)O
InChIInChI=1S/C7H4Cl2N2O4/c1-15-6(14)2-3(5(12)13)10-7(9)11-4(2)8/h1H3,(H,12,13)
InChIKeyMTXPZQVXSAKBQL-UHFFFAOYSA-N
MW251.02 g/mol
LogP1.27
Rot. Bonds2

About 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid

2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid (PubChem CID 166072347) has the molecular formula C7H4Cl2N2O4 and a molecular weight of 251.02 g/mol. Its IUPAC name is 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid
PubChem CID166072347
Molecular FormulaC7H4Cl2N2O4
Molecular Weight251.02 g/mol
Exact Mass249.95
IUPAC Name2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid
SMILESCOC(=O)c1c(Cl)nc(Cl)nc1C(=O)O
InChIInChI=1S/C7H4Cl2N2O4/c1-15-6(14)2-3(5(12)13)10-7(9)11-4(2)8/h1H3,(H,12,13)
InChIKeyMTXPZQVXSAKBQL-UHFFFAOYSA-N
XLogP1.27
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
CID 97114154
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 158349743
5-chloro-2-methoxycarbonyl-1,3-thiazole-4-carboxylic acid
CID 84788297
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377384
methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride
CID 130229255
methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate
CID 118989948
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid (CID 166072347) is 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid is COC(=O)c1c(Cl)nc(Cl)nc1C(=O)O.
What is the InChIKey of 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid?
The InChIKey is MTXPZQVXSAKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O4/c1-15-6(14)2-3(5(12)13)10-7(9)11-4(2)8/h1H3,(H,12,13).
What are the key properties of 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid?
2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid has a molecular weight of 251.02 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-methoxycarbonylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 166072347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).