[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine

C13H12FN3O3 — CID 80633985

IUPAC[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O3/c1-8-4-9(6-15)7-16-13(8)20-12-3-2-10(14)5-11(12)17(18)19/h2-5,7H,6,15H2,1H3
InChIKeyIQGYTAKKAOVMKS-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.69
Rot. Bonds4

About [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine

[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine (PubChem CID 80633985) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
PubChem CID80633985
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O3/c1-8-4-9(6-15)7-16-13(8)20-12-3-2-10(14)5-11(12)17(18)19/h2-5,7H,6,15H2,1H3
InChIKeyIQGYTAKKAOVMKS-UHFFFAOYSA-N
XLogP2.69
TPSA91.28 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 ≤ 52.69
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

6-(4-fluoro-2-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631158
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
[3-fluoro-5-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 106531299
4-[[5-(chloromethyl)-3-methyl-2-pyridinyl]oxy]-3-nitrobenzonitrile
CID 80631592
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
5-(chloromethyl)-2-(2,5-difluoro-4-nitrophenoxy)-3-methylpyridine
CID 80631960
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-(chloromethyl)-3-methylpyridine
CID 103483413
[5-chloro-2-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 114857139
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine (CID 80633985) is [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Oc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine?
The InChIKey is IQGYTAKKAOVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-8-4-9(6-15)7-16-13(8)20-12-3-2-10(14)5-11(12)17(18)19/h2-5,7H,6,15H2,1H3.
What are the key properties of [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine?
[6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine has a molecular weight of 277.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoro-2-nitrophenoxy)-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80633985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).