1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H12FN3O3 — CID 80633902

IUPAC1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H12FN3O3/c1-15-7-9-2-5-13(16-8-9)20-12-6-10(14)3-4-11(12)17(18)19/h2-6,8,15H,7H2,1H3
InChIKeySLNAUWLHIGQEML-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.64
Rot. Bonds5

About 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 80633902) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID80633902
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H12FN3O3/c1-15-7-9-2-5-13(16-8-9)20-12-6-10(14)3-4-11(12)17(18)19/h2-6,8,15H,7H2,1H3
InChIKeySLNAUWLHIGQEML-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633522
1-[6-(2-chloro-5-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80633241
5-(5-fluoro-2-nitrophenoxy)pyrazin-2-amine
CID 80663467
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
1-[6-(2,6-dichloro-4-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 80637993
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
[6-(5-chloro-2-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633680
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60878936
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
3-chloro-6-(5-fluoro-2-nitrophenoxy)pyridazine
CID 60674957

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 80633902) is 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])nc1.
What is the InChIKey of 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is SLNAUWLHIGQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-15-7-9-2-5-13(16-8-9)20-12-6-10(14)3-4-11(12)17(18)19/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 277.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-fluoro-2-nitrophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80633902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).