2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine

C12H7Cl2FN2O3 — CID 116519429

IUPAC2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cnc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl2FN2O3/c13-9-4-12(14)16-5-7(9)6-20-11-2-1-8(17(18)19)3-10(11)15/h1-5H,6H2
InChIKeyZMZCLFIBLUYEFR-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.01
Rot. Bonds4

About 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine

2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine (PubChem CID 116519429) has the molecular formula C12H7Cl2FN2O3 and a molecular weight of 317.10 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
PubChem CID116519429
Molecular FormulaC12H7Cl2FN2O3
Molecular Weight317.10 g/mol
Exact Mass315.98
IUPAC Name2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2cnc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C12H7Cl2FN2O3/c13-9-4-12(14)16-5-7(9)6-20-11-2-1-8(17(18)19)3-10(11)15/h1-5H,6H2
InChIKeyZMZCLFIBLUYEFR-UHFFFAOYSA-N
XLogP4.01
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 54.01
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

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-fluorophenoxy)methyl]pyridine
CID 116519330
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
4-chloro-6-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-benzodioxole
CID 52618950
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
CID 113296504
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine (CID 116519429) is 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1ccc(OCc2cnc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine?
The InChIKey is ZMZCLFIBLUYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O3/c13-9-4-12(14)16-5-7(9)6-20-11-2-1-8(17(18)19)3-10(11)15/h1-5H,6H2.
What are the key properties of 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine?
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine has a molecular weight of 317.10 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 116519429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).