5-(2-nitroethenyl)-2-phenylmethoxypyridine

C14H12N2O3 — CID 66707987

IUPAC5-(2-nitroethenyl)-2-phenylmethoxypyridine
SMILESO=[N+]([O-])C=Cc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C14H12N2O3/c17-16(18)9-8-12-6-7-14(15-10-12)19-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyFZYLKASZRMLQMU-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.91
Rot. Bonds5

About 5-(2-nitroethenyl)-2-phenylmethoxypyridine

5-(2-nitroethenyl)-2-phenylmethoxypyridine (PubChem CID 66707987) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(2-nitroethenyl)-2-phenylmethoxypyridine.

Molecular Properties

Compound Name5-(2-nitroethenyl)-2-phenylmethoxypyridine
PubChem CID66707987
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(2-nitroethenyl)-2-phenylmethoxypyridine
SMILESO=[N+]([O-])C=Cc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C14H12N2O3/c17-16(18)9-8-12-6-7-14(15-10-12)19-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyFZYLKASZRMLQMU-UHFFFAOYSA-N
XLogP2.91
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-methoxy-5-(2-nitroethenyl)pyridine
CID 67230839
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
2-iodo-5-[(E)-2-nitroethenyl]pyridine
CID 119082655
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
1-(2-ethoxyethoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730339
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-(methoxymethyl)-4-(2-nitroethenyl)benzene
CID 77098902
1-bromo-3-methoxy-5-[(Z)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 23972782
1-methyl-4-[(E)-2-nitroethenyl]-2,3-bis(phenylmethoxy)benzene
CID 158230678
1-methyl-3-[[4-[(E)-2-nitroethenyl]phenoxy]methyl]benzene
CID 974554

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitroethenyl)-2-phenylmethoxypyridine?
The IUPAC name of 5-(2-nitroethenyl)-2-phenylmethoxypyridine (CID 66707987) is 5-(2-nitroethenyl)-2-phenylmethoxypyridine.
What is the SMILES notation for 5-(2-nitroethenyl)-2-phenylmethoxypyridine?
The canonical SMILES for 5-(2-nitroethenyl)-2-phenylmethoxypyridine is O=[N+]([O-])C=Cc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 5-(2-nitroethenyl)-2-phenylmethoxypyridine?
The InChIKey is FZYLKASZRMLQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-16(18)9-8-12-6-7-14(15-10-12)19-11-13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of 5-(2-nitroethenyl)-2-phenylmethoxypyridine?
5-(2-nitroethenyl)-2-phenylmethoxypyridine has a molecular weight of 256.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitroethenyl)-2-phenylmethoxypyridine is sourced from PubChem (CID 66707987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).