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

C12H8F2N2O2 — CID 170837722

IUPAC2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
SMILESCc1cc(-c2cccc(F)c2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H8F2N2O2/c1-7-5-10(15-6-11(7)16(17)18)8-3-2-4-9(13)12(8)14/h2-6H,1H3
InChIKeyHFSVODLHUYNRHB-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.24
Rot. Bonds2

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

2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine (PubChem CID 170837722) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
PubChem CID170837722
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
SMILESCc1cc(-c2cccc(F)c2F)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H8F2N2O2/c1-7-5-10(15-6-11(7)16(17)18)8-3-2-4-9(13)12(8)14/h2-6H,1H3
InChIKeyHFSVODLHUYNRHB-UHFFFAOYSA-N
XLogP3.24
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
2-[1-(2-fluorophenyl)ethylsulfanyl]-4-methyl-5-nitropyridine
CID 133343083
4-(2,3-difluorophenyl)-2-nitrophenol
CID 53221638
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
2-(3,5-difluorophenyl)sulfanyl-4-methyl-5-nitropyridine
CID 164944587
2-fluoro-6-(4-methyl-3-nitrophenyl)phenol
CID 69242564
4-(2-fluoro-3-nitrophenyl)-2-methyltriazole
CID 175500139
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503029
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine (CID 170837722) is 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine is Cc1cc(-c2cccc(F)c2F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine?
The InChIKey is HFSVODLHUYNRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c1-7-5-10(15-6-11(7)16(17)18)8-3-2-4-9(13)12(8)14/h2-6H,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine?
2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine has a molecular weight of 250.20 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine is sourced from PubChem (CID 170837722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).