methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C10H7FN2O3 — CID 176739490

IUPACmethyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2cccc(F)c2n1
InChIInChI=1S/C10H7FN2O3/c1-16-10(15)7-5-8(14)13-4-2-3-6(11)9(13)12-7/h2-5H,1H3
InChIKeyHCEQNMCKAGJAMK-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.62
Rot. Bonds1

About methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 176739490) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID176739490
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Namemethyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2cccc(F)c2n1
InChIInChI=1S/C10H7FN2O3/c1-16-10(15)7-5-8(14)13-4-2-3-6(11)9(13)12-7/h2-5H,1H3
InChIKeyHCEQNMCKAGJAMK-UHFFFAOYSA-N
XLogP0.62
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 176739490) is methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1cc(=O)n2cccc(F)c2n1.
What is the InChIKey of methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is HCEQNMCKAGJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-16-10(15)7-5-8(14)13-4-2-3-6(11)9(13)12-7/h2-5H,1H3.
What are the key properties of methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 222.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 176739490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).