5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate

C7H4FN2O4- — CID 156631345

IUPAC5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate
SMILESCOC(=O)c1ncnc(C(=O)[O-])c1F
InChIInChI=1S/C7H5FN2O4/c1-14-7(13)5-3(8)4(6(11)12)9-2-10-5/h2H,1H3,(H,11,12)/p-1
InChIKeyMTGQXGCGAKLDQT-UHFFFAOYSA-M
MW199.12 g/mol
LogP-1.23
Rot. Bonds2

About 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate

5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate (PubChem CID 156631345) has the molecular formula C7H4FN2O4- and a molecular weight of 199.12 g/mol. Its IUPAC name is 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate
PubChem CID156631345
Molecular FormulaC7H4FN2O4-
Molecular Weight199.12 g/mol
Exact Mass199.02
IUPAC Name5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate
SMILESCOC(=O)c1ncnc(C(=O)[O-])c1F
InChIInChI=1S/C7H5FN2O4/c1-14-7(13)5-3(8)4(6(11)12)9-2-10-5/h2H,1H3,(H,11,12)/p-1
InChIKeyMTGQXGCGAKLDQT-UHFFFAOYSA-M
XLogP-1.23
TPSA92.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate?
The IUPAC name of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate (CID 156631345) is 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate.
What is the SMILES notation for 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate?
The canonical SMILES for 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate is COC(=O)c1ncnc(C(=O)[O-])c1F.
What is the InChIKey of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate?
The InChIKey is MTGQXGCGAKLDQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5FN2O4/c1-14-7(13)5-3(8)4(6(11)12)9-2-10-5/h2H,1H3,(H,11,12)/p-1.
What are the key properties of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate?
5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate has a molecular weight of 199.12 g/mol, XLogP of -1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylate is sourced from PubChem (CID 156631345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).