2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine

C14H11FN2O3 — CID 59255489

IUPAC2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine
SMILESO=[N+]([O-])/C=C/c1ccc(COc2ccccn2)cc1F
InChIInChI=1S/C14H11FN2O3/c15-13-9-11(4-5-12(13)6-8-17(18)19)10-20-14-3-1-2-7-16-14/h1-9H,10H2/b8-6+
InChIKeyNQAQGQYEITTWPS-SOFGYWHQSA-N
MW274.25 g/mol
LogP3.05
Rot. Bonds5

About 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine

2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine (PubChem CID 59255489) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine
PubChem CID59255489
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine
SMILESO=[N+]([O-])/C=C/c1ccc(COc2ccccn2)cc1F
InChIInChI=1S/C14H11FN2O3/c15-13-9-11(4-5-12(13)6-8-17(18)19)10-20-14-3-1-2-7-16-14/h1-9H,10H2/b8-6+
InChIKeyNQAQGQYEITTWPS-SOFGYWHQSA-N
XLogP3.05
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.05
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-[(3-nitrophenyl)methoxy]pyridine
CID 112788687
5-(2-nitroethenyl)-2-phenylmethoxypyridine
CID 66707987
4-fluoro-3-[(E)-2-nitroethenyl]pyridine
CID 119082644
2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
CID 72671041
1-methyl-4-[(E)-2-nitroethenyl]-2,3-bis(phenylmethoxy)benzene
CID 158230678
1,2-bis(2-nitroethenyl)benzene
CID 154283712
2-[(3-ethylphenyl)methoxy]pyridine
CID 71028787
1-nitro-2-[(E)-2-nitro(213C)ethenyl]-4-phenylmethoxybenzene
CID 169444921
5-(2-nitroethyl)-2-(pyridin-2-yloxymethyl)pyridine
CID 59255451
2-(pyridin-4-ylmethoxy)pyridine
CID 126954867
2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
CID 66707738
1,5-dibromo-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 5368263

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine?
The IUPAC name of 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine (CID 59255489) is 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine.
What is the SMILES notation for 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine?
The canonical SMILES for 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine is O=[N+]([O-])/C=C/c1ccc(COc2ccccn2)cc1F.
What is the InChIKey of 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine?
The InChIKey is NQAQGQYEITTWPS-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-13-9-11(4-5-12(13)6-8-17(18)19)10-20-14-3-1-2-7-16-14/h1-9H,10H2/b8-6+.
What are the key properties of 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine?
2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine has a molecular weight of 274.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-[(E)-2-nitroethenyl]phenyl]methoxy]pyridine is sourced from PubChem (CID 59255489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).