5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine

C14H15N3O3 — CID 80874556

IUPAC5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
SMILESCc1ccc(C)c(Oc2nc(N)ccc2[N+](=O)[O-])c1C
InChIInChI=1S/C14H15N3O3/c1-8-4-5-9(2)13(10(8)3)20-14-11(17(18)19)6-7-12(15)16-14/h4-7H,1-3H3,(H2,15,16)
InChIKeyPYGJRWBDKLCULL-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.29
Rot. Bonds3

About 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine

5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine (PubChem CID 80874556) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
PubChem CID80874556
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
SMILESCc1ccc(C)c(Oc2nc(N)ccc2[N+](=O)[O-])c1C
InChIInChI=1S/C14H15N3O3/c1-8-4-5-9(2)13(10(8)3)20-14-11(17(18)19)6-7-12(15)16-14/h4-7H,1-3H3,(H2,15,16)
InChIKeyPYGJRWBDKLCULL-UHFFFAOYSA-N
XLogP3.29
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.29
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-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
6-(4-bromo-2-fluorophenoxy)-5-nitropyridin-2-amine
CID 80881860
5-nitro-6-(1-phenylethoxy)pyridin-2-amine
CID 80860724
6-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
5-nitro-6-quinolin-7-yloxypyridin-2-amine
CID 107315829
6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
CID 80871108

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine (CID 80874556) is 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine is Cc1ccc(C)c(Oc2nc(N)ccc2[N+](=O)[O-])c1C.
What is the InChIKey of 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine?
The InChIKey is PYGJRWBDKLCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-4-5-9(2)13(10(8)3)20-14-11(17(18)19)6-7-12(15)16-14/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine?
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine is sourced from PubChem (CID 80874556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).