methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate

C17H15NO5 — CID 140830444

IUPACmethyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nccc(/C=C/OC=O)c1OCc1ccccc1
InChIInChI=1S/C17H15NO5/c1-21-17(20)15-16(23-11-13-5-3-2-4-6-13)14(7-9-18-15)8-10-22-12-19/h2-10,12H,11H2,1H3/b10-8+
InChIKeyLPAMICRFFAZXBM-CSKARUKUSA-N
MW313.31 g/mol
LogP2.59
Rot. Bonds7

About methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate

methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 140830444) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate
PubChem CID140830444
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namemethyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nccc(/C=C/OC=O)c1OCc1ccccc1
InChIInChI=1S/C17H15NO5/c1-21-17(20)15-16(23-11-13-5-3-2-4-6-13)14(7-9-18-15)8-10-22-12-19/h2-10,12H,11H2,1H3/b10-8+
InChIKeyLPAMICRFFAZXBM-CSKARUKUSA-N
XLogP2.59
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate
CID 176830175
ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate
CID 177153407
methyl 8-ethyl-4-phenylmethoxyisoquinoline-3-carboxylate
CID 177153579
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
1-(3,3-dinitroprop-1-enyl)-3-methoxy-2-phenylmethoxybenzene
CID 173351121
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 5-cyanoisoquinoline-1-carboxylate
CID 82572062
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
CID 145157389
methyl 6-formyl-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylate
CID 59600568
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-methoxycarbonyl-4-phenylmethoxypyrazole-1-carboxylic acid
CID 91402164

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate (CID 140830444) is methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1nccc(/C=C/OC=O)c1OCc1ccccc1.
What is the InChIKey of methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is LPAMICRFFAZXBM-CSKARUKUSA-N. The full InChI is InChI=1S/C17H15NO5/c1-21-17(20)15-16(23-11-13-5-3-2-4-6-13)14(7-9-18-15)8-10-22-12-19/h2-10,12H,11H2,1H3/b10-8+.
What are the key properties of methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate?
methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 140830444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).