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

C11H7F2N3O3 — CID 80880828

IUPAC6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C11H7F2N3O3/c12-6-2-1-3-8(10(6)13)19-11-7(16(17)18)4-5-9(14)15-11/h1-5H,(H2,14,15)
InChIKeyPKYMPXOORKPBSB-UHFFFAOYSA-N
MW267.19 g/mol
LogP2.64
Rot. Bonds3

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

6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine (PubChem CID 80880828) has the molecular formula C11H7F2N3O3 and a molecular weight of 267.19 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
PubChem CID80880828
Molecular FormulaC11H7F2N3O3
Molecular Weight267.19 g/mol
Exact Mass267.05
IUPAC Name6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C11H7F2N3O3/c12-6-2-1-3-8(10(6)13)19-11-7(16(17)18)4-5-9(14)15-11/h1-5H,(H2,14,15)
InChIKeyPKYMPXOORKPBSB-UHFFFAOYSA-N
XLogP2.64
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
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

6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
CID 80881860
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503029
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810
6-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556
1-[5-(2,3-difluorophenoxy)-2-nitrophenyl]ethanone
CID 104613840
6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 107656824

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine (CID 80880828) is 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Oc2cccc(F)c2F)n1.
What is the InChIKey of 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine?
The InChIKey is PKYMPXOORKPBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O3/c12-6-2-1-3-8(10(6)13)19-11-7(16(17)18)4-5-9(14)15-11/h1-5H,(H2,14,15).
What are the key properties of 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine?
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine has a molecular weight of 267.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80880828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).