6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine

C13H12FN3O3 — CID 107171804

IUPAC6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H12FN3O3/c1-8-3-4-9(7-10(8)14)20-13-11(17(18)19)5-6-12(15-2)16-13/h3-7H,1-2H3,(H,15,16)
InChIKeyIWPPRRFYPIVPBJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.27
Rot. Bonds4

About 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine

6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine (PubChem CID 107171804) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
PubChem CID107171804
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H12FN3O3/c1-8-3-4-9(7-10(8)14)20-13-11(17(18)19)5-6-12(15-2)16-13/h3-7H,1-2H3,(H,15,16)
InChIKeyIWPPRRFYPIVPBJ-UHFFFAOYSA-N
XLogP3.27
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.27
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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Related Compounds

N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine (CID 107171804) is 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is IWPPRRFYPIVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-8-3-4-9(7-10(8)14)20-13-11(17(18)19)5-6-12(15-2)16-13/h3-7H,1-2H3,(H,15,16).
What are the key properties of 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine?
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 277.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 107171804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).