3,5,6-trichloro-N-ethylpyridin-2-amine

C7H7Cl3N2 — CID 102750177

IUPAC3,5,6-trichloro-N-ethylpyridin-2-amine
SMILESCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H7Cl3N2/c1-2-11-7-5(9)3-4(8)6(10)12-7/h3H,2H2,1H3,(H,11,12)
InChIKeyQOVWBNOTIYAVRE-UHFFFAOYSA-N
MW225.51 g/mol
LogP3.47
Rot. Bonds2

About 3,5,6-trichloro-N-ethylpyridin-2-amine

3,5,6-trichloro-N-ethylpyridin-2-amine (PubChem CID 102750177) has the molecular formula C7H7Cl3N2 and a molecular weight of 225.51 g/mol. Its IUPAC name is 3,5,6-trichloro-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-ethylpyridin-2-amine
PubChem CID102750177
Molecular FormulaC7H7Cl3N2
Molecular Weight225.51 g/mol
Exact Mass223.97
IUPAC Name3,5,6-trichloro-N-ethylpyridin-2-amine
SMILESCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H7Cl3N2/c1-2-11-7-5(9)3-4(8)6(10)12-7/h3H,2H2,1H3,(H,11,12)
InChIKeyQOVWBNOTIYAVRE-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.51
LogP ≤ 53.47
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-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554
6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 106659441
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 102751738
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
6-(3-bromophenyl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102753784

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-ethylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-ethylpyridin-2-amine (CID 102750177) is 3,5,6-trichloro-N-ethylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-ethylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-ethylpyridin-2-amine is CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-ethylpyridin-2-amine?
The InChIKey is QOVWBNOTIYAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3N2/c1-2-11-7-5(9)3-4(8)6(10)12-7/h3H,2H2,1H3,(H,11,12).
What are the key properties of 3,5,6-trichloro-N-ethylpyridin-2-amine?
3,5,6-trichloro-N-ethylpyridin-2-amine has a molecular weight of 225.51 g/mol, XLogP of 3.47, 2 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-ethylpyridin-2-amine is sourced from PubChem (CID 102750177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).