5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine

C12H8ClFN2O3 — CID 113296504

IUPAC5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
SMILESO=[N+]([O-])c1ccc(COc2ccc(F)nc2)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O3/c13-11-5-9(16(17)18)2-1-8(11)7-19-10-3-4-12(14)15-6-10/h1-6H,7H2
InChIKeyDVWNGZVOTLCWMA-UHFFFAOYSA-N
MW282.66 g/mol
LogP3.36
Rot. Bonds4

About 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine

5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine (PubChem CID 113296504) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine.

Molecular Properties

Compound Name5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
PubChem CID113296504
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
SMILESO=[N+]([O-])c1ccc(COc2ccc(F)nc2)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O3/c13-11-5-9(16(17)18)2-1-8(11)7-19-10-3-4-12(14)15-6-10/h1-6H,7H2
InChIKeyDVWNGZVOTLCWMA-UHFFFAOYSA-N
XLogP3.36
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol
CID 79799534
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
3-chloro-4-[(4-nitrophenoxy)methyl]benzoic acid
CID 102670198
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
4-(chloromethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691373
4-(bromomethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691777
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83231215
(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
CID 63368526
(1S)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanol
CID 78934285
3-bromo-4-[(2-chloro-4-nitrophenyl)methoxy]benzaldehyde
CID 63051105
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine?
The IUPAC name of 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine (CID 113296504) is 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine.
What is the SMILES notation for 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine?
The canonical SMILES for 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine is O=[N+]([O-])c1ccc(COc2ccc(F)nc2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine?
The InChIKey is DVWNGZVOTLCWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c13-11-5-9(16(17)18)2-1-8(11)7-19-10-3-4-12(14)15-6-10/h1-6H,7H2.
What are the key properties of 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine?
5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine has a molecular weight of 282.66 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine is sourced from PubChem (CID 113296504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).