carbon dioxide;methyl 5-methylpyridine-2-carboxylate

C9H9NO4 — CID 157165111

IUPACcarbon dioxide;methyl 5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C)cn1.O=C=O
InChIInChI=1S/C8H9NO2.CO2/c1-6-3-4-7(9-5-6)8(10)11-2;2-1-3/h3-5H,1-2H3;
InChIKeyAMUWNTPLONICMQ-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.59
Rot. Bonds1

About carbon dioxide;methyl 5-methylpyridine-2-carboxylate

carbon dioxide;methyl 5-methylpyridine-2-carboxylate (PubChem CID 157165111) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is carbon dioxide;methyl 5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;methyl 5-methylpyridine-2-carboxylate
PubChem CID157165111
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Namecarbon dioxide;methyl 5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C)cn1.O=C=O
InChIInChI=1S/C8H9NO2.CO2/c1-6-3-4-7(9-5-6)8(10)11-2;2-1-3/h3-5H,1-2H3;
InChIKeyAMUWNTPLONICMQ-UHFFFAOYSA-N
XLogP0.59
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-methylphenoxy)pyridine-2-carboxylate
CID 59966219
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-ethynylpyridine-2-carboxylate
CID 568567
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 6-methylisoquinoline-3-carboxylate
CID 22243644
methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate
CID 15079356
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755
methyl 5-chlorosulfonylpyridine-2-carboxylate
CID 55279599

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 5-methylpyridine-2-carboxylate?
The IUPAC name of carbon dioxide;methyl 5-methylpyridine-2-carboxylate (CID 157165111) is carbon dioxide;methyl 5-methylpyridine-2-carboxylate.
What is the SMILES notation for carbon dioxide;methyl 5-methylpyridine-2-carboxylate?
The canonical SMILES for carbon dioxide;methyl 5-methylpyridine-2-carboxylate is COC(=O)c1ccc(C)cn1.O=C=O.
What is the InChIKey of carbon dioxide;methyl 5-methylpyridine-2-carboxylate?
The InChIKey is AMUWNTPLONICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CO2/c1-6-3-4-7(9-5-6)8(10)11-2;2-1-3/h3-5H,1-2H3;.
What are the key properties of carbon dioxide;methyl 5-methylpyridine-2-carboxylate?
carbon dioxide;methyl 5-methylpyridine-2-carboxylate has a molecular weight of 195.17 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 5-methylpyridine-2-carboxylate is sourced from PubChem (CID 157165111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).