2-chloro-6-methoxypyrimidine-4-carboxylic acid

C6H5ClN2O3 — CID 3498524

IUPAC2-chloro-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C6H5ClN2O3/c1-12-4-2-3(5(10)11)8-6(7)9-4/h2H,1H3,(H,10,11)
InChIKeyUIUZAPSUOBAVAS-UHFFFAOYSA-N
MW188.57 g/mol
LogP0.84
Rot. Bonds2

About 2-chloro-6-methoxypyrimidine-4-carboxylic acid

2-chloro-6-methoxypyrimidine-4-carboxylic acid (PubChem CID 3498524) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 2-chloro-6-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-methoxypyrimidine-4-carboxylic acid
PubChem CID3498524
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name2-chloro-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C6H5ClN2O3/c1-12-4-2-3(5(10)11)8-6(7)9-4/h2H,1H3,(H,10,11)
InChIKeyUIUZAPSUOBAVAS-UHFFFAOYSA-N
XLogP0.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethoxypyrimidine-4-carboxylic acid
CID 2736210
6-methoxypyrimidine-4-carboxylic Acid
CID 3300297
2,6-Dimethoxy-4-pyrimidinecarboxaldehyde
CID 11105743
Methyl 2,6-dimethoxypyrimidine-4-carboxylate
CID 330001
5-Fluoro-6-methoxypyrimidine-4-carboxylic acid
CID 91812170
6-Methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 171767601
6-Methoxy-2-(trifluoromethyl)-4-pyrimidinecarboxylic acid
CID 83822724
Methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 89115022
Methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 153217797
Methyl 6-(difluoromethoxy)pyrimidine-4-carboxylate
CID 161698620
6-(2-Fluoroethoxy)pyrimidine-4-carboxylic acid
CID 166038660
Methyl 6-methoxy-2-(trifluoromethyl)pyrimidine-4-carboxylate
CID 171692259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-methoxypyrimidine-4-carboxylic acid (CID 3498524) is 2-chloro-6-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-methoxypyrimidine-4-carboxylic acid is COc1cc(C(=O)O)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxypyrimidine-4-carboxylic acid?
The InChIKey is UIUZAPSUOBAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c1-12-4-2-3(5(10)11)8-6(7)9-4/h2H,1H3,(H,10,11).
What are the key properties of 2-chloro-6-methoxypyrimidine-4-carboxylic acid?
2-chloro-6-methoxypyrimidine-4-carboxylic acid has a molecular weight of 188.57 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 3498524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).