N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine

C15H15Cl3N2 — CID 102751203

IUPACN-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine
SMILESCC(C)(C)c1ccccc1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N2/c1-15(2,3)9-6-4-5-7-12(9)19-14-11(17)8-10(16)13(18)20-14/h4-8H,1-3H3,(H,19,20)
InChIKeyUDKREQIUTXTGOJ-UHFFFAOYSA-N
MW329.66 g/mol
LogP6.08
Rot. Bonds2

About N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine

N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine (PubChem CID 102751203) has the molecular formula C15H15Cl3N2 and a molecular weight of 329.66 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine
PubChem CID102751203
Molecular FormulaC15H15Cl3N2
Molecular Weight329.66 g/mol
Exact Mass328.03
IUPAC NameN-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine
SMILESCC(C)(C)c1ccccc1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl3N2/c1-15(2,3)9-6-4-5-7-12(9)19-14-11(17)8-10(16)13(18)20-14/h4-8H,1-3H3,(H,19,20)
InChIKeyUDKREQIUTXTGOJ-UHFFFAOYSA-N
XLogP6.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.66
LogP ≤ 56.08
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-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102751000
N-(4-bromo-2,3-dichlorophenyl)-3,5,6-trichloropyridin-2-amine
CID 114002020
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
2-N-(2-tert-butylphenyl)-4-chlorobenzene-1,2-diamine
CID 115469018
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
4-methyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]benzonitrile
CID 102750947
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine?
The IUPAC name of N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine (CID 102751203) is N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine is CC(C)(C)c1ccccc1Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine?
The InChIKey is UDKREQIUTXTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2/c1-15(2,3)9-6-4-5-7-12(9)19-14-11(17)8-10(16)13(18)20-14/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine?
N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine has a molecular weight of 329.66 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3,5,6-trichloropyridin-2-amine is sourced from PubChem (CID 102751203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).