carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate

C9H8ClNO4 — CID 158534965

IUPACcarbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(C)n1.O=C=O
InChIInChI=1S/C8H8ClNO2.CO2/c1-5-3-6(9)4-7(10-5)8(11)12-2;2-1-3/h3-4H,1-2H3;
InChIKeyHNVFXVLXJUFJFE-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.25
Rot. Bonds1

About carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate

carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate (PubChem CID 158534965) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
PubChem CID158534965
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Namecarbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(C)n1.O=C=O
InChIInChI=1S/C8H8ClNO2.CO2/c1-5-3-6(9)4-7(10-5)8(11)12-2;2-1-3/h3-4H,1-2H3;
InChIKeyHNVFXVLXJUFJFE-UHFFFAOYSA-N
XLogP1.25
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-6-methylpyrimidine-4-carboxylate
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4-chloro-N,6-dimethylpyridine-2-carboxamide
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CID 158160079
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
methyl 6-methyl-4-nitropyridine-2-carboxylate
CID 55277247
carbon dioxide;methyl 4-(1-chloro-3-phenylpropyl)-6-methylpyridine-2-carboxylate
CID 165094086
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 5-chloropyridazine-3-carboxylate
CID 131699995
methyl 4-chloro-6-fluoropyridine-2-carboxylate;methyl 4-chloropyridine-2-carboxylate;hydroiodide
CID 159623363
methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate?
The IUPAC name of carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate (CID 158534965) is carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate.
What is the SMILES notation for carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate?
The canonical SMILES for carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate is COC(=O)c1cc(Cl)cc(C)n1.O=C=O.
What is the InChIKey of carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate?
The InChIKey is HNVFXVLXJUFJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.CO2/c1-5-3-6(9)4-7(10-5)8(11)12-2;2-1-3/h3-4H,1-2H3;.
What are the key properties of carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate?
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate has a molecular weight of 229.62 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 158534965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).