methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate

C13H10N2O5 — CID 75494890

IUPACmethyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1/C=C/c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10N2O5/c1-19-13(16)12-9(6-7-20-12)2-3-10-4-5-11(8-14-10)15(17)18/h2-8H,1H3/b3-2+
InChIKeyPWVZWKNVAJXZPX-NSCUHMNNSA-N
MW274.23 g/mol
LogP2.54
Rot. Bonds4

About methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate

methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate (PubChem CID 75494890) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate
PubChem CID75494890
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Namemethyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1/C=C/c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10N2O5/c1-19-13(16)12-9(6-7-20-12)2-3-10-4-5-11(8-14-10)15(17)18/h2-8H,1H3/b3-2+
InChIKeyPWVZWKNVAJXZPX-NSCUHMNNSA-N
XLogP2.54
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
CID 127265495
4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
CID 137308663
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566
N-[4-(5-nitro-2-pyridinyl)but-3-enyl]acetamide
CID 170488639
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate
CID 58657120
N-methoxy-N-methyl-5-nitropyridine-2-carboxamide
CID 169122058
4-methyl-5-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]-1,3-thiazole
CID 84586211
methyl 6-nitro-2,1-benzoxazole-3-carboxylate
CID 12576421
methyl 2-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 6300586
2-[3-[2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 126809089

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate (CID 75494890) is methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate is COC(=O)c1occc1/C=C/c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate?
The InChIKey is PWVZWKNVAJXZPX-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-19-13(16)12-9(6-7-20-12)2-3-10-4-5-11(8-14-10)15(17)18/h2-8H,1H3/b3-2+.
What are the key properties of methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate?
methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate has a molecular weight of 274.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate is sourced from PubChem (CID 75494890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).