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

C12H9Cl2N3O3 — CID 102761149

IUPAC3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O3/c1-6-4-7(17(18)19)2-3-10(6)20-12-9(14)5-8(13)11(15)16-12/h2-5H,1H3,(H2,15,16)
InChIKeyVFCWZEULEKAOAI-UHFFFAOYSA-N
MW314.13 g/mol
LogP3.98
Rot. Bonds3

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

3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine (PubChem CID 102761149) has the molecular formula C12H9Cl2N3O3 and a molecular weight of 314.13 g/mol. Its IUPAC name is 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
PubChem CID102761149
Molecular FormulaC12H9Cl2N3O3
Molecular Weight314.13 g/mol
Exact Mass313.00
IUPAC Name3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N3O3/c1-6-4-7(17(18)19)2-3-10(6)20-12-9(14)5-8(13)11(15)16-12/h2-5H,1H3,(H2,15,16)
InChIKeyVFCWZEULEKAOAI-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'}

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Related Compounds

3,5-dichloro-6-(3-methyl-2-nitrophenoxy)pyridin-2-amine
CID 102760816
6-(2-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 113369611
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
6-(2-methyl-4-nitrophenoxy)-7H-purin-2-amine
CID 114788030
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60677946
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine (CID 102761149) is 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine is Cc1cc([N+](=O)[O-])ccc1Oc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
The InChIKey is VFCWZEULEKAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3/c1-6-4-7(17(18)19)2-3-10(6)20-12-9(14)5-8(13)11(15)16-12/h2-5H,1H3,(H2,15,16).
What are the key properties of 3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine?
3,5-dichloro-6-(2-methyl-4-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-(2-methyl-4-nitrophenoxy)pyridin-2-amine is sourced from PubChem (CID 102761149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).