5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine

C13H10Cl4N2O — CID 63487402

IUPAC5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl4N2O/c1-18-12-3-2-8(15)11(19-12)6-20-13-9(16)4-7(14)5-10(13)17/h2-5H,6H2,1H3,(H,18,19)
InChIKeyFXJKLUCKHNLMRR-UHFFFAOYSA-N
MW352.05 g/mol
LogP5.32
Rot. Bonds4

About 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine

5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine (PubChem CID 63487402) has the molecular formula C13H10Cl4N2O and a molecular weight of 352.05 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
PubChem CID63487402
Molecular FormulaC13H10Cl4N2O
Molecular Weight352.05 g/mol
Exact Mass349.95
IUPAC Name5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl4N2O/c1-18-12-3-2-8(15)11(19-12)6-20-13-9(16)4-7(14)5-10(13)17/h2-5H,6H2,1H3,(H,18,19)
InChIKeyFXJKLUCKHNLMRR-UHFFFAOYSA-N
XLogP5.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.05
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine (CID 63487402) is 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine is CNc1ccc(Cl)c(COc2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine?
The InChIKey is FXJKLUCKHNLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl4N2O/c1-18-12-3-2-8(15)11(19-12)6-20-13-9(16)4-7(14)5-10(13)17/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine?
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine has a molecular weight of 352.05 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 63487402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).