methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C11H9IN2O4 — CID 70807298

IUPACmethyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(I)cn2c(=O)c1OC
InChIInChI=1S/C11H9IN2O4/c1-17-9-8(11(16)18-2)13-7-4-3-6(12)5-14(7)10(9)15/h3-5H,1-2H3
InChIKeyJQDNOZGKSMLZIK-UHFFFAOYSA-N
MW360.11 g/mol
LogP1.09
Rot. Bonds2

About methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 70807298) has the molecular formula C11H9IN2O4 and a molecular weight of 360.11 g/mol. Its IUPAC name is methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID70807298
Molecular FormulaC11H9IN2O4
Molecular Weight360.11 g/mol
Exact Mass359.96
IUPAC Namemethyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(I)cn2c(=O)c1OC
InChIInChI=1S/C11H9IN2O4/c1-17-9-8(11(16)18-2)13-7-4-3-6(12)5-14(7)10(9)15/h3-5H,1-2H3
InChIKeyJQDNOZGKSMLZIK-UHFFFAOYSA-N
XLogP1.09
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.11
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101054
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
methyl 7-(diethoxyphosphanylmethyl)-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 143705029
methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 46948729
methyl 1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953640
methyl 5-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953636
7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one
CID 144979672
methyl 4-hydroxy-1-iodo-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxylate
CID 174713333
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045
methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
CID 12862360
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579

Frequently Asked Questions

What is the IUPAC name of methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 70807298) is methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2ccc(I)cn2c(=O)c1OC.
What is the InChIKey of methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is JQDNOZGKSMLZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O4/c1-17-9-8(11(16)18-2)13-7-4-3-6(12)5-14(7)10(9)15/h3-5H,1-2H3.
What are the key properties of methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 360.11 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 70807298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).