4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine

C13H13FN2O3 — CID 171774611

IUPAC4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine
SMILESCOc1cc(F)c(C2=CCN(C)C=C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13FN2O3/c1-15-5-3-9(4-6-15)10-7-12(16(17)18)13(19-2)8-11(10)14/h3-5,7-8H,6H2,1-2H3
InChIKeyWZIITXFGYILDTP-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.59
Rot. Bonds3

About 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine

4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine (PubChem CID 171774611) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine
PubChem CID171774611
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine
SMILESCOc1cc(F)c(C2=CCN(C)C=C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13FN2O3/c1-15-5-3-9(4-6-15)10-7-12(16(17)18)13(19-2)8-11(10)14/h3-5,7-8H,6H2,1-2H3
InChIKeyWZIITXFGYILDTP-UHFFFAOYSA-N
XLogP2.59
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.59
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

7-methoxy-2-methyl-6-nitro-1H-isoquinoline
CID 138580919
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
1-fluoro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
CID 122235323
5-methoxy-1,3-dimethyl-6-nitrobenzimidazol-2-one
CID 752226
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
7-methoxy-4-methylidene-6-nitro-3H-quinazoline
CID 68603580
2-(2-fluoro-5-methoxy-4-nitrophenyl)sulfanylacetic acid
CID 107260086
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
CID 59452963
1-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260518
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
3-(2-fluoro-5-methoxy-4-nitrophenyl)-3,9-diazaspiro[5.5]undecane
CID 118639741

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine?
The IUPAC name of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine (CID 171774611) is 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine?
The canonical SMILES for 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine is COc1cc(F)c(C2=CCN(C)C=C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine?
The InChIKey is WZIITXFGYILDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-15-5-3-9(4-6-15)10-7-12(16(17)18)13(19-2)8-11(10)14/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine?
4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine has a molecular weight of 264.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 171774611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).