methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate

C16H14N2O6 — CID 54065265

IUPACmethyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C16H14N2O6/c1-22-10-13(16(19)23-2)12-5-3-4-6-14(12)24-15-8-7-11(9-17-15)18(20)21/h3-10H,1-2H3
InChIKeyMCMHIBQUXFUTRG-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.94
Rot. Bonds6

About methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate

methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate (PubChem CID 54065265) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
PubChem CID54065265
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Namemethyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
SMILESCOC=C(C(=O)OC)c1ccccc1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C16H14N2O6/c1-22-10-13(16(19)23-2)12-5-3-4-6-14(12)24-15-8-7-11(9-17-15)18(20)21/h3-10H,1-2H3
InChIKeyMCMHIBQUXFUTRG-UHFFFAOYSA-N
XLogP2.94
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-methoxy-2-[2-[(5-nitro-1,3-thiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 14421305
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 68917139
methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 6537969
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 54220011
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
CID 67704171
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
methyl 2-[2-[6-(2-formamidophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 91090038
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 54157261

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate (CID 54065265) is methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate is COC=C(C(=O)OC)c1ccccc1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate?
The InChIKey is MCMHIBQUXFUTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-22-10-13(16(19)23-2)12-5-3-4-6-14(12)24-15-8-7-11(9-17-15)18(20)21/h3-10H,1-2H3.
What are the key properties of methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate?
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate has a molecular weight of 330.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate is sourced from PubChem (CID 54065265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).