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

C12H7Cl5N2O — CID 102760562

IUPAC3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine
SMILESCNc1nc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl5N2O/c1-18-11-8(16)3-9(17)12(19-11)20-10-4-6(14)5(13)2-7(10)15/h2-4H,1H3,(H,18,19)
InChIKeyXWYPJHLTIISGKS-UHFFFAOYSA-N
MW372.47 g/mol
LogP6.18
Rot. Bonds3

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

3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine (PubChem CID 102760562) has the molecular formula C12H7Cl5N2O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine
PubChem CID102760562
Molecular FormulaC12H7Cl5N2O
Molecular Weight372.47 g/mol
Exact Mass369.90
IUPAC Name3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine
SMILESCNc1nc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl5N2O/c1-18-11-8(16)3-9(17)12(19-11)20-10-4-6(14)5(13)2-7(10)15/h2-4H,1H3,(H,18,19)
InChIKeyXWYPJHLTIISGKS-UHFFFAOYSA-N
XLogP6.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-methyl-6-(2,3,5-trimethylphenoxy)pyridin-2-amine
CID 102760749
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
CID 102760710
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
3,5-dichloro-6-(4-ethyl-2-methoxyphenoxy)-N-methylpyridin-2-amine
CID 107669668
3,5-dichloro-6-(2,5-dimethylpyrazol-3-yl)oxy-N-methylpyridin-2-amine
CID 102761085
3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
CID 102760813
6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760712
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
3-(2,4,5-trichlorophenoxy)pyrazin-2-amine
CID 102987702
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
3,5-dichloro-6-(2-fluoro-6-nitrophenoxy)-N-methylpyridin-2-amine
CID 102761161

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine (CID 102760562) is 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine is CNc1nc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine?
The InChIKey is XWYPJHLTIISGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl5N2O/c1-18-11-8(16)3-9(17)12(19-11)20-10-4-6(14)5(13)2-7(10)15/h2-4H,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine?
3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine has a molecular weight of 372.47 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine is sourced from PubChem (CID 102760562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).