2-(2,5-difluorophenoxy)-5-nitropyridine

C11H6F2N2O3 — CID 118138295

IUPAC2-(2,5-difluorophenoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(Oc2cc(F)ccc2F)nc1
InChIInChI=1S/C11H6F2N2O3/c12-7-1-3-9(13)10(5-7)18-11-4-2-8(6-14-11)15(16)17/h1-6H
InChIKeyKUJBDNORASXSEQ-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.06
Rot. Bonds3

About 2-(2,5-difluorophenoxy)-5-nitropyridine

2-(2,5-difluorophenoxy)-5-nitropyridine (PubChem CID 118138295) has the molecular formula C11H6F2N2O3 and a molecular weight of 252.18 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-nitropyridine.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-nitropyridine
PubChem CID118138295
Molecular FormulaC11H6F2N2O3
Molecular Weight252.18 g/mol
Exact Mass252.03
IUPAC Name2-(2,5-difluorophenoxy)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(Oc2cc(F)ccc2F)nc1
InChIInChI=1S/C11H6F2N2O3/c12-7-1-3-9(13)10(5-7)18-11-4-2-8(6-14-11)15(16)17/h1-6H
InChIKeyKUJBDNORASXSEQ-UHFFFAOYSA-N
XLogP3.06
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 53.06
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-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633902
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-nitropyridine?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-nitropyridine (CID 118138295) is 2-(2,5-difluorophenoxy)-5-nitropyridine.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-nitropyridine?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-nitropyridine is O=[N+]([O-])c1ccc(Oc2cc(F)ccc2F)nc1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-nitropyridine?
The InChIKey is KUJBDNORASXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O3/c12-7-1-3-9(13)10(5-7)18-11-4-2-8(6-14-11)15(16)17/h1-6H.
What are the key properties of 2-(2,5-difluorophenoxy)-5-nitropyridine?
2-(2,5-difluorophenoxy)-5-nitropyridine has a molecular weight of 252.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-5-nitropyridine is sourced from PubChem (CID 118138295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).