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

C10H7IN2O4 — CID 58101054

IUPACmethyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(I)cn2c(=O)c1O
InChIInChI=1S/C10H7IN2O4/c1-17-10(16)7-8(14)9(15)13-4-5(11)2-3-6(13)12-7/h2-4,14H,1H3
InChIKeyTUZLCHGWXLLKDN-UHFFFAOYSA-N
MW346.08 g/mol
LogP0.79
Rot. Bonds1

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

methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101054) has the molecular formula C10H7IN2O4 and a molecular weight of 346.08 g/mol. Its IUPAC name is methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101054
Molecular FormulaC10H7IN2O4
Molecular Weight346.08 g/mol
Exact Mass345.95
IUPAC Namemethyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(I)cn2c(=O)c1O
InChIInChI=1S/C10H7IN2O4/c1-17-10(16)7-8(14)9(15)13-4-5(11)2-3-6(13)12-7/h2-4,14H,1H3
InChIKeyTUZLCHGWXLLKDN-UHFFFAOYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.08
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 70807298
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028
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 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
methyl 1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953640
methyl 9-(ethoxycarbonylamino)-3-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 143705017
methyl 5-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953636
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
methyl 3-hydroxy-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 58101083

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 58101054) is methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2ccc(I)cn2c(=O)c1O.
What is the InChIKey of methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is TUZLCHGWXLLKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O4/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 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 346.08 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).