6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine

C12H10FN3O3 — CID 80869880

IUPAC6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C12H10FN3O3/c1-14-11-7-6-10(16(17)18)12(15-11)19-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,15)
InChIKeyYMXNENLEUSSBCN-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.96
Rot. Bonds4

About 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine

6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80869880) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
PubChem CID80869880
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCNc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2)n1
InChIInChI=1S/C12H10FN3O3/c1-14-11-7-6-10(16(17)18)12(15-11)19-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,15)
InChIKeyYMXNENLEUSSBCN-UHFFFAOYSA-N
XLogP2.96
TPSA77.29 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 ≤ 52.96
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-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide
CID 80865429
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine (CID 80869880) is 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine is CNc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is YMXNENLEUSSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-14-11-7-6-10(16(17)18)12(15-11)19-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,14,15).
What are the key properties of 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine?
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 263.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80869880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).