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

C12H9Cl2N3O3 — CID 102760816

IUPAC3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
SMILESCc1cccc(Oc2nc(N)c(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9Cl2N3O3/c1-6-3-2-4-9(10(6)17(18)19)20-12-8(14)5-7(13)11(15)16-12/h2-5H,1H3,(H2,15,16)
InChIKeyDUMJOUWPXIKBQL-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.98
Rot. Bonds3

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

3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine (PubChem CID 102760816) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
PubChem CID102760816
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
SMILESCc1cccc(Oc2nc(N)c(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H9Cl2N3O3/c1-6-3-2-4-9(10(6)17(18)19)20-12-8(14)5-7(13)11(15)16-12/h2-5H,1H3,(H2,15,16)
InChIKeyDUMJOUWPXIKBQL-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 102761149
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
1-[2-chloro-4-(chloromethyl)phenoxy]-3-methyl-2-nitrobenzene
CID 81152391
5-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391332
3-chloro-4-(3-methyl-2-nitrophenoxy)benzoic acid
CID 63090546
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
2-nitro-3-(2,4,5-trichlorophenoxy)aniline
CID 80863372
5-chloro-2-(3-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 62495102
3-(4-chloro-2,6-dimethylphenoxy)-2-nitroaniline
CID 80863111

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine (CID 102760816) is 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine is Cc1cccc(Oc2nc(N)c(Cl)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine?
The InChIKey is DUMJOUWPXIKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c1-6-3-2-4-9(10(6)17(18)19)20-12-8(14)5-7(13)11(15)16-12/h2-5H,1H3,(H2,15,16).
What are the key properties of 3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine?
3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine 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-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine is sourced from PubChem (CID 102760816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).