3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline

C12H9Cl2N3O3 — CID 155268546

IUPAC3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
SMILESCc1nc(Oc2c(Cl)cc(N)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9Cl2N3O3/c1-6-10(17(18)19)2-3-11(16-6)20-12-8(13)4-7(15)5-9(12)14/h2-5H,15H2,1H3
InChIKeyGHAIVPCIMPJSGV-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.98
Rot. Bonds3

About 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline

3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline (PubChem CID 155268546) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
PubChem CID155268546
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
SMILESCc1nc(Oc2c(Cl)cc(N)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9Cl2N3O3/c1-6-10(17(18)19)2-3-11(16-6)20-12-8(13)4-7(15)5-9(12)14/h2-5H,15H2,1H3
InChIKeyGHAIVPCIMPJSGV-UHFFFAOYSA-N
XLogP3.98
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
6-(2-iodophenoxy)-2-methyl-3-nitropyridine
CID 80718939
2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
CID 133476968
N-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]acetamide
CID 14209901
2-[6-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-nitro-2-pyridinyl]-2-hydroxypropanoic acid
CID 70422028
5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
CID 133486366
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
6-(2,6-dichloro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80873263
3,4-dichloro-5-nitroaniline
CID 121228417
2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
CID 107716661
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
CID 12569053
6-chloro-5-nitropyridin-2-amine
CID 3069277

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline?
The IUPAC name of 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline (CID 155268546) is 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline is Cc1nc(Oc2c(Cl)cc(N)cc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline?
The InChIKey is GHAIVPCIMPJSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c1-6-10(17(18)19)2-3-11(16-6)20-12-8(13)4-7(15)5-9(12)14/h2-5H,15H2,1H3.
What are the key properties of 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline?
3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline has a molecular weight of 314.13 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 155268546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).