methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C10H7ClN2O4 — CID 58101028

IUPACmethyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Cl)cn2c(=O)c1O
InChIInChI=1S/C10H7ClN2O4/c1-17-10(16)7-8(14)9(15)13-4-5(11)2-3-6(13)12-7/h2-4,14H,1H3
InChIKeyCYXRJUQXIDDPGS-UHFFFAOYSA-N
MW254.63 g/mol
LogP0.84
Rot. Bonds1

About methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101028) has the molecular formula C10H7ClN2O4 and a molecular weight of 254.63 g/mol. Its IUPAC name is methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101028
Molecular FormulaC10H7ClN2O4
Molecular Weight254.63 g/mol
Exact Mass254.01
IUPAC Namemethyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Cl)cn2c(=O)c1O
InChIInChI=1S/C10H7ClN2O4/c1-17-10(16)7-8(14)9(15)13-4-5(11)2-3-6(13)12-7/h2-4,14H,1H3
InChIKeyCYXRJUQXIDDPGS-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 58101028) is methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2ccc(Cl)cn2c(=O)c1O.
What is the InChIKey of methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is CYXRJUQXIDDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4/c1-17-10(16)7-8(14)9(15)13-4-5(11)2-3-6(13)12-7/h2-4,14H,1H3.
What are the key properties of methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 254.63 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).