6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine

C18H14FN3O3 — CID 169094918

IUPAC6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine
SMILESCNc1nc(Oc2ccccc2-c2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H14FN3O3/c1-20-18-15(22(23)24)9-10-17(21-18)25-16-8-3-2-7-14(16)12-5-4-6-13(19)11-12/h2-11H,1H3,(H,20,21)
InChIKeyPEIXAJBSSCVOAC-UHFFFAOYSA-N
MW339.33 g/mol
LogP4.63
Rot. Bonds5

About 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine

6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine (PubChem CID 169094918) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine
PubChem CID169094918
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine
SMILESCNc1nc(Oc2ccccc2-c2cccc(F)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H14FN3O3/c1-20-18-15(22(23)24)9-10-17(21-18)25-16-8-3-2-7-14(16)12-5-4-6-13(19)11-12/h2-11H,1H3,(H,20,21)
InChIKeyPEIXAJBSSCVOAC-UHFFFAOYSA-N
XLogP4.63
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine (CID 169094918) is 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine is CNc1nc(Oc2ccccc2-c2cccc(F)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine?
The InChIKey is PEIXAJBSSCVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-20-18-15(22(23)24)9-10-17(21-18)25-16-8-3-2-7-14(16)12-5-4-6-13(19)11-12/h2-11H,1H3,(H,20,21).
What are the key properties of 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine?
6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine has a molecular weight of 339.33 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 169094918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).