N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine

C14H14FN3O3 — CID 107171732

IUPACN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H14FN3O3/c1-3-16-13-7-6-12(18(19)20)14(17-13)21-10-5-4-9(2)11(15)8-10/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyKJDFGBBQKKXCCK-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.66
Rot. Bonds5

About N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine

N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine (PubChem CID 107171732) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
PubChem CID107171732
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H14FN3O3/c1-3-16-13-7-6-12(18(19)20)14(17-13)21-10-5-4-9(2)11(15)8-10/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyKJDFGBBQKKXCCK-UHFFFAOYSA-N
XLogP3.66
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.66
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-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
6-(4-bromo-3-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80877339
3,5-dichloro-N-ethyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107171826
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
CID 80805285
N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 80870463
6-(4-fluorophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80869880
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine (CID 107171732) is N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine?
The InChIKey is KJDFGBBQKKXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-3-16-13-7-6-12(18(19)20)14(17-13)21-10-5-4-9(2)11(15)8-10/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine?
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 107171732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).