2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine

C13H11FN2O3 — CID 71079266

IUPAC2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
SMILESCOc1ccc(-c2ncc(C)cc2[N+](=O)[O-])cc1F
InChIInChI=1S/C13H11FN2O3/c1-8-5-11(16(17)18)13(15-7-8)9-3-4-12(19-2)10(14)6-9/h3-7H,1-2H3
InChIKeyKFZAGMQTCGACJE-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine

2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine (PubChem CID 71079266) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
PubChem CID71079266
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
SMILESCOc1ccc(-c2ncc(C)cc2[N+](=O)[O-])cc1F
InChIInChI=1S/C13H11FN2O3/c1-8-5-11(16(17)18)13(15-7-8)9-3-4-12(19-2)10(14)6-9/h3-7H,1-2H3
InChIKeyKFZAGMQTCGACJE-UHFFFAOYSA-N
XLogP3.11
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.11
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-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine 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

2-(4-fluorophenyl)-5-methyl-3-nitropyridine
CID 46313040
1-(3-fluoro-4-methoxyphenyl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 8564530
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 22106528
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
2,5-dimethyl-3-nitropyridine
CID 12626468
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-nitrophenyl)butane-1,4-dione
CID 167664309

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine (CID 71079266) is 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine is COc1ccc(-c2ncc(C)cc2[N+](=O)[O-])cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine?
The InChIKey is KFZAGMQTCGACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-5-11(16(17)18)13(15-7-8)9-3-4-12(19-2)10(14)6-9/h3-7H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine?
2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine has a molecular weight of 262.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine is sourced from PubChem (CID 71079266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).