3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine

C13H11Cl2N3O3 — CID 102760998

IUPAC3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
SMILESCCc1ccc(Oc2nc(N)c(Cl)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11Cl2N3O3/c1-2-7-3-4-11(10(5-7)18(19)20)21-13-9(15)6-8(14)12(16)17-13/h3-6H,2H2,1H3,(H2,16,17)
InChIKeyBNURYTSZTFSWBX-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.23
Rot. Bonds4

About 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine

3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine (PubChem CID 102760998) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
PubChem CID102760998
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
SMILESCCc1ccc(Oc2nc(N)c(Cl)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11Cl2N3O3/c1-2-7-3-4-11(10(5-7)18(19)20)21-13-9(15)6-8(14)12(16)17-13/h3-6H,2H2,1H3,(H2,16,17)
InChIKeyBNURYTSZTFSWBX-UHFFFAOYSA-N
XLogP4.23
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.23
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

4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 102761149
4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80925193
3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510784
3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
CID 102760816
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80871267
3-nitro-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749640
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine (CID 102760998) is 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine is CCc1ccc(Oc2nc(N)c(Cl)cc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine?
The InChIKey is BNURYTSZTFSWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-2-7-3-4-11(10(5-7)18(19)20)21-13-9(15)6-8(14)12(16)17-13/h3-6H,2H2,1H3,(H2,16,17).
What are the key properties of 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine?
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine has a molecular weight of 328.16 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine is sourced from PubChem (CID 102760998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).