2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine

C12H8F2N2O3 — CID 133329231

IUPAC2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
SMILESCc1cc(Oc2cccc(F)c2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H8F2N2O3/c1-7-5-11(15-6-9(7)16(17)18)19-10-4-2-3-8(13)12(10)14/h2-6H,1H3
InChIKeyOHSNNAVFVSDTCA-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.37
Rot. Bonds3

About 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine

2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine (PubChem CID 133329231) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
PubChem CID133329231
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
SMILESCc1cc(Oc2cccc(F)c2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H8F2N2O3/c1-7-5-11(15-6-9(7)16(17)18)19-10-4-2-3-8(13)12(10)14/h2-6H,1H3
InChIKeyOHSNNAVFVSDTCA-UHFFFAOYSA-N
XLogP3.37
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.37
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

4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
2-(2-iodophenoxy)-5-methyl-4-nitropyridine
CID 83269728
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
1-[5-(2,3-difluorophenoxy)-2-nitrophenyl]ethanone
CID 104613840
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine?
The IUPAC name of 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine (CID 133329231) is 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine is Cc1cc(Oc2cccc(F)c2F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine?
The InChIKey is OHSNNAVFVSDTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c1-7-5-11(15-6-9(7)16(17)18)19-10-4-2-3-8(13)12(10)14/h2-6H,1H3.
What are the key properties of 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine?
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine has a molecular weight of 266.20 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine is sourced from PubChem (CID 133329231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).