[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine

C13H12FN3O3 — CID 107348052

IUPAC[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
SMILESNCc1ccc(OCc2cccc([N+](=O)[O-])c2F)cn1
InChIInChI=1S/C13H12FN3O3/c14-13-9(2-1-3-12(13)17(18)19)8-20-11-5-4-10(6-15)16-7-11/h1-5,7H,6,8,15H2
InChIKeyNOXHOWVAJLDEFF-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.17
Rot. Bonds5

About [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine

[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine (PubChem CID 107348052) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
PubChem CID107348052
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
SMILESNCc1ccc(OCc2cccc([N+](=O)[O-])c2F)cn1
InChIInChI=1S/C13H12FN3O3/c14-13-9(2-1-3-12(13)17(18)19)8-20-11-5-4-10(6-15)16-7-11/h1-5,7H,6,8,15H2
InChIKeyNOXHOWVAJLDEFF-UHFFFAOYSA-N
XLogP2.17
TPSA91.28 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 ≤ 52.17
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

2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
CID 107349549
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107349867
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
CID 79800306
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
CID 107348680
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
1-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349915
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
2-[(3,5-difluorophenoxy)methyl]-6-nitroaniline
CID 107352365

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
The IUPAC name of [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine (CID 107348052) is [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
The canonical SMILES for [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine is NCc1ccc(OCc2cccc([N+](=O)[O-])c2F)cn1.
What is the InChIKey of [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
The InChIKey is NOXHOWVAJLDEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c14-13-9(2-1-3-12(13)17(18)19)8-20-11-5-4-10(6-15)16-7-11/h1-5,7H,6,8,15H2.
What are the key properties of [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine?
[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine has a molecular weight of 277.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 107348052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).