6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine

C13H11F2N3O3 — CID 80880817

IUPAC6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C13H11F2N3O3/c1-2-16-11-7-6-9(18(19)20)13(17-11)21-10-5-3-4-8(14)12(10)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyQFBPNDKYEKNGFU-UHFFFAOYSA-N
MW295.25 g/mol
LogP3.49
Rot. Bonds5

About 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine

6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80880817) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
PubChem CID80880817
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C13H11F2N3O3/c1-2-16-11-7-6-9(18(19)20)13(17-11)21-10-5-3-4-8(14)12(10)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyQFBPNDKYEKNGFU-UHFFFAOYSA-N
XLogP3.49
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 53.49
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-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503043
6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine
CID 80880029
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
1-[5-(2,3-difluorophenoxy)-2-nitrophenyl]ethanone
CID 104613840

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine (CID 80880817) is 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)n1.
What is the InChIKey of 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is QFBPNDKYEKNGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-2-16-11-7-6-9(18(19)20)13(17-11)21-10-5-3-4-8(14)12(10)15/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine?
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 295.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80880817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).