2-chloro-6-methoxypyrimidine-4-carboxylate

C6H4ClN2O3- — CID 7282718

IUPAC2-chloro-6-methoxypyrimidine-4-carboxylate
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)/p-1
InChIKeyUIUZAPSUOBAVAS-UHFFFAOYSA-M
MW187.56 g/mol
LogP-0.50
Rot. Bonds2

About 2-chloro-6-methoxypyrimidine-4-carboxylate

2-chloro-6-methoxypyrimidine-4-carboxylate (PubChem CID 7282718) has the molecular formula C6H4ClN2O3- and a molecular weight of 187.56 g/mol. Its IUPAC name is 2-chloro-6-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Name2-chloro-6-methoxypyrimidine-4-carboxylate
PubChem CID7282718
Molecular FormulaC6H4ClN2O3-
Molecular Weight187.56 g/mol
Exact Mass186.99
IUPAC Name2-chloro-6-methoxypyrimidine-4-carboxylate
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)/p-1
InChIKeyUIUZAPSUOBAVAS-UHFFFAOYSA-M
XLogP-0.50
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.56
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
4-Pyrimidinecarboxylic acid, 2,6-bis(trimethylsiloxy)-, trimethylsilyl ester
CID 520508
Methyl 2,6-dimethoxypyrimidine-4-carboxylate
CID 330001
Methyl 2,6-difluoropyrimidine-4-carboxylate
CID 19738427
Methyl 6-amino-2-chloropyrimidine-4-carboxylate
CID 53396493
(4,4-Difluoro-3-methylbut-3-enyl) 6-butoxy-2-methylpyrimidine-4-carboxylate
CID 23020219
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxypyrimidine-4-carboxylate?
The IUPAC name of 2-chloro-6-methoxypyrimidine-4-carboxylate (CID 7282718) is 2-chloro-6-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for 2-chloro-6-methoxypyrimidine-4-carboxylate?
The canonical SMILES for 2-chloro-6-methoxypyrimidine-4-carboxylate is COc1cc(C(=O)[O-])nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxypyrimidine-4-carboxylate?
The InChIKey is UIUZAPSUOBAVAS-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-chloro-6-methoxypyrimidine-4-carboxylate?
2-chloro-6-methoxypyrimidine-4-carboxylate has a molecular weight of 187.56 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 7282718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).