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

C12H8Cl4N2 — CID 105349955

IUPAC4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine
SMILESCc1cc(N)ncc1-c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl4N2/c1-5-2-9(17)18-4-6(5)10-7(13)3-8(14)11(15)12(10)16/h2-4H,1H3,(H2,17,18)
InChIKeyRHHIJYHYIRYICU-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.25
Rot. Bonds1

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

4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine (PubChem CID 105349955) has the molecular formula C12H8Cl4N2 and a molecular weight of 322.02 g/mol. Its IUPAC name is 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine
PubChem CID105349955
Molecular FormulaC12H8Cl4N2
Molecular Weight322.02 g/mol
Exact Mass319.94
IUPAC Name4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine
SMILESCc1cc(N)ncc1-c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl4N2/c1-5-2-9(17)18-4-6(5)10-7(13)3-8(14)11(15)12(10)16/h2-4H,1H3,(H2,17,18)
InChIKeyRHHIJYHYIRYICU-UHFFFAOYSA-N
XLogP5.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.02
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine?
The IUPAC name of 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine (CID 105349955) is 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine is Cc1cc(N)ncc1-c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine?
The InChIKey is RHHIJYHYIRYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2/c1-5-2-9(17)18-4-6(5)10-7(13)3-8(14)11(15)12(10)16/h2-4H,1H3,(H2,17,18).
What are the key properties of 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine?
4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine has a molecular weight of 322.02 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine is sourced from PubChem (CID 105349955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).