5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine

C13H12FN3O3 — CID 104832417

IUPAC5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(COc2c(F)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H12FN3O3/c1-15-12-6-5-9(7-16-12)8-20-13-10(14)3-2-4-11(13)17(18)19/h2-7H,8H2,1H3,(H,15,16)
InChIKeyHIBICMXRTPTDFL-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.75
Rot. Bonds5

About 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine

5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 104832417) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID104832417
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(COc2c(F)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H12FN3O3/c1-15-12-6-5-9(7-16-12)8-20-13-10(14)3-2-4-11(13)17(18)19/h2-7H,8H2,1H3,(H,15,16)
InChIKeyHIBICMXRTPTDFL-UHFFFAOYSA-N
XLogP2.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.75
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

5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
5-[(2,6-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62195101
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
CID 104832414
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230
N-methyl-5-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62193963

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine (CID 104832417) is 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine is CNc1ccc(COc2c(F)cccc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is HIBICMXRTPTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-15-12-6-5-9(7-16-12)8-20-13-10(14)3-2-4-11(13)17(18)19/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine?
5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 277.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 104832417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).