3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine

C14H13Cl3N2 — CID 102750483

IUPAC3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCCN(c1cccc(C)c1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl3N2/c1-3-19(10-6-4-5-9(2)7-10)14-12(16)8-11(15)13(17)18-14/h4-8H,3H2,1-2H3
InChIKeyFJHUMSXBBMXDEU-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.51
Rot. Bonds3

About 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine

3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine (PubChem CID 102750483) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
PubChem CID102750483
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC Name3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
SMILESCCN(c1cccc(C)c1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl3N2/c1-3-19(10-6-4-5-9(2)7-10)14-12(16)8-11(15)13(17)18-14/h4-8H,3H2,1-2H3
InChIKeyFJHUMSXBBMXDEU-UHFFFAOYSA-N
XLogP5.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine (CID 102750483) is 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine is CCN(c1cccc(C)c1)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
The InChIKey is FJHUMSXBBMXDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c1-3-19(10-6-4-5-9(2)7-10)14-12(16)8-11(15)13(17)18-14/h4-8H,3H2,1-2H3.
What are the key properties of 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine?
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine has a molecular weight of 315.63 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 102750483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).