2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine

C14H13FN2O3 — CID 75452907

IUPAC2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine
SMILESCc1cc(C)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN2O3/c1-9-6-10(2)16-14(13(9)17(18)19)20-8-11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3
InChIKeyFHFBZHNSQHELGK-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.32
Rot. Bonds4

About 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine

2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine (PubChem CID 75452907) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine
PubChem CID75452907
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine
SMILESCc1cc(C)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN2O3/c1-9-6-10(2)16-14(13(9)17(18)19)20-8-11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3
InChIKeyFHFBZHNSQHELGK-UHFFFAOYSA-N
XLogP3.32
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.32
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

6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
CID 140911567
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
2-(4-fluorophenyl)-4-[(3-fluorophenyl)methoxy]-6-methylpyrimidine
CID 95922322
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde
CID 82057207
2-[4-[(3-fluorophenyl)methoxy]-3-nitrophenyl]acetonitrile
CID 82152196
N-[2-(3-fluorophenyl)ethyl]-6-methyl-3-nitropyridin-2-amine
CID 81138476
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
1-fluoro-3-(2-nitropropyl)benzene
CID 24721350

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine (CID 75452907) is 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine is Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine?
The InChIKey is FHFBZHNSQHELGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-9-6-10(2)16-14(13(9)17(18)19)20-8-11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine?
2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine has a molecular weight of 276.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]-4,6-dimethyl-3-nitropyridine is sourced from PubChem (CID 75452907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).