2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine

C14H13FN2O3 — CID 103174627

IUPAC2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O3/c1-3-13-14(5-4-9(2)16-13)20-12-7-10(15)6-11(8-12)17(18)19/h4-8H,3H2,1-2H3
InChIKeyCTKLNCZGBJPPJJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.79
Rot. Bonds4

About 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine

2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine (PubChem CID 103174627) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
PubChem CID103174627
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O3/c1-3-13-14(5-4-9(2)16-13)20-12-7-10(15)6-11(8-12)17(18)19/h4-8H,3H2,1-2H3
InChIKeyCTKLNCZGBJPPJJ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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'}

Analyze 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-5-nitrophenoxy)-2,4-dimethylbenzene
CID 80752885
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
2-chloro-1-(3-fluoro-5-nitrophenoxy)-4-nitrobenzene
CID 80753164
1-(3-fluoro-5-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 80753064
1-chloro-2-ethyl-4-(3-fluoro-5-nitrophenoxy)benzene
CID 80752060
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
ethyl 2-[4-(3-fluoro-5-nitrophenoxy)-2-methylphenoxy]-2-methylpropanoate
CID 58853834
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
2-bromo-4-chloro-1-(3-fluoro-5-nitrophenoxy)benzene
CID 80752387
2-chloro-5-(3-fluoro-5-nitrophenoxy)-1,3-dimethylbenzene
CID 80751937
1-fluoro-3-(2-methylbutan-2-yloxy)-5-nitrobenzene
CID 80752056
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine?
The IUPAC name of 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine (CID 103174627) is 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine.
What is the SMILES notation for 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine?
The canonical SMILES for 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine is CCc1nc(C)ccc1Oc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine?
The InChIKey is CTKLNCZGBJPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-3-13-14(5-4-9(2)16-13)20-12-7-10(15)6-11(8-12)17(18)19/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine?
2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine has a molecular weight of 276.27 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine is sourced from PubChem (CID 103174627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).