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

C11H15Cl3N2 — CID 102751998

IUPAC3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
SMILESCCC(CC)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2/c1-3-7(4-2)6-15-11-9(13)5-8(12)10(14)16-11/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyBHEHGMDHEGOANY-UHFFFAOYSA-N
MW281.61 g/mol
LogP4.89
Rot. Bonds5

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

3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine (PubChem CID 102751998) has the molecular formula C11H15Cl3N2 and a molecular weight of 281.61 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
PubChem CID102751998
Molecular FormulaC11H15Cl3N2
Molecular Weight281.61 g/mol
Exact Mass280.03
IUPAC Name3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
SMILESCCC(CC)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2/c1-3-7(4-2)6-15-11-9(13)5-8(12)10(14)16-11/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyBHEHGMDHEGOANY-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 102751738
3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
3-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]methyl]pentan-1-ol
CID 102759121
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102750885
3,5,6-trichloro-N-(3-methylsulfanylbutyl)pyridin-2-amine
CID 102751944
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
3,5,6-trichloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 106195652

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine (CID 102751998) is 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine is CCC(CC)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine?
The InChIKey is BHEHGMDHEGOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl3N2/c1-3-7(4-2)6-15-11-9(13)5-8(12)10(14)16-11/h5,7H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine?
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine has a molecular weight of 281.61 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine is sourced from PubChem (CID 102751998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).