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

C12H10FN3O3 — CID 104831737

IUPAC5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(COc2c(F)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H10FN3O3/c13-9-2-1-3-10(16(17)18)12(9)19-7-8-4-5-11(14)15-6-8/h1-6H,7H2,(H2,14,15)
InChIKeyUHLLXRRVJVLEOH-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.29
Rot. Bonds4

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

5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 104831737) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID104831737
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(COc2c(F)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H10FN3O3/c13-9-2-1-3-10(16(17)18)12(9)19-7-8-4-5-11(14)15-6-8/h1-6H,7H2,(H2,14,15)
InChIKeyUHLLXRRVJVLEOH-UHFFFAOYSA-N
XLogP2.29
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.29
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]-N-methylpyridin-2-amine
CID 104832417
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
CID 62195557
5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
CID 114416743
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
5-chloro-4-[(2-fluoro-6-nitrophenoxy)methyl]thiadiazole
CID 104831633
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine (CID 104831737) is 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine is Nc1ccc(COc2c(F)cccc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is UHLLXRRVJVLEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-9-2-1-3-10(16(17)18)12(9)19-7-8-4-5-11(14)15-6-8/h1-6H,7H2,(H2,14,15).
What are the key properties of 5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine?
5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 263.23 g/mol, XLogP of 2.29, 4 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]pyridin-2-amine is sourced from PubChem (CID 104831737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).