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

C15H23Cl3N2 — CID 102751515

IUPAC3,5,6-trichloro-N-decylpyridin-2-amine
SMILESCCCCCCCCCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl3N2/c1-2-3-4-5-6-7-8-9-10-19-15-13(17)11-12(16)14(18)20-15/h11H,2-10H2,1H3,(H,19,20)
InChIKeyPSQUVXMSZCAWRT-UHFFFAOYSA-N
MW337.72 g/mol
LogP6.59
Rot. Bonds10

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

3,5,6-trichloro-N-decylpyridin-2-amine (PubChem CID 102751515) has the molecular formula C15H23Cl3N2 and a molecular weight of 337.72 g/mol. Its IUPAC name is 3,5,6-trichloro-N-decylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-decylpyridin-2-amine
PubChem CID102751515
Molecular FormulaC15H23Cl3N2
Molecular Weight337.72 g/mol
Exact Mass336.09
IUPAC Name3,5,6-trichloro-N-decylpyridin-2-amine
SMILESCCCCCCCCCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl3N2/c1-2-3-4-5-6-7-8-9-10-19-15-13(17)11-12(16)14(18)20-15/h11H,2-10H2,1H3,(H,19,20)
InChIKeyPSQUVXMSZCAWRT-UHFFFAOYSA-N
XLogP6.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.72
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
N-but-3-enyl-3,5,6-trichloropyridin-2-amine
CID 106196171
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-decylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-decylpyridin-2-amine (CID 102751515) is 3,5,6-trichloro-N-decylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-decylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-decylpyridin-2-amine is CCCCCCCCCCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-decylpyridin-2-amine?
The InChIKey is PSQUVXMSZCAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl3N2/c1-2-3-4-5-6-7-8-9-10-19-15-13(17)11-12(16)14(18)20-15/h11H,2-10H2,1H3,(H,19,20).
What are the key properties of 3,5,6-trichloro-N-decylpyridin-2-amine?
3,5,6-trichloro-N-decylpyridin-2-amine has a molecular weight of 337.72 g/mol, XLogP of 6.59, 10 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-decylpyridin-2-amine is sourced from PubChem (CID 102751515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).