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

C11H15Cl3N2O — CID 102751695

IUPAC3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2O/c1-2-5-17-6-3-4-15-11-9(13)7-8(12)10(14)16-11/h7H,2-6H2,1H3,(H,15,16)
InChIKeyDRHUSQJDSWDBJA-UHFFFAOYSA-N
MW297.61 g/mol
LogP4.27
Rot. Bonds7

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

3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine (PubChem CID 102751695) has the molecular formula C11H15Cl3N2O and a molecular weight of 297.61 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
PubChem CID102751695
Molecular FormulaC11H15Cl3N2O
Molecular Weight297.61 g/mol
Exact Mass296.02
IUPAC Name3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
SMILESCCCOCCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2O/c1-2-5-17-6-3-4-15-11-9(13)7-8(12)10(14)16-11/h7H,2-6H2,1H3,(H,15,16)
InChIKeyDRHUSQJDSWDBJA-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106196882
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
CID 82942310
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine (CID 102751695) is 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine is CCCOCCCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine?
The InChIKey is DRHUSQJDSWDBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl3N2O/c1-2-5-17-6-3-4-15-11-9(13)7-8(12)10(14)16-11/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine?
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine has a molecular weight of 297.61 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine is sourced from PubChem (CID 102751695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).