3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine

C11H13Cl3N2O — CID 106196882

IUPAC3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
SMILESC=C(C)COCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3N2O/c1-7(2)6-17-4-3-15-11-9(13)5-8(12)10(14)16-11/h5H,1,3-4,6H2,2H3,(H,15,16)
InChIKeyHMKQXAXXIDGLAJ-UHFFFAOYSA-N
MW295.60 g/mol
LogP4.05
Rot. Bonds6

About 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine

3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine (PubChem CID 106196882) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
PubChem CID106196882
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
SMILESC=C(C)COCCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3N2O/c1-7(2)6-17-4-3-15-11-9(13)5-8(12)10(14)16-11/h5H,1,3-4,6H2,2H3,(H,15,16)
InChIKeyHMKQXAXXIDGLAJ-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 54.05
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
CID 106196919
6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 114156896
N-but-3-enyl-3,5,6-trichloropyridin-2-amine
CID 106196171
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 106196869
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
CID 115698562
3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
CID 102987489
6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 115715261

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine (CID 106196882) is 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine is C=C(C)COCCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine?
The InChIKey is HMKQXAXXIDGLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c1-7(2)6-17-4-3-15-11-9(13)5-8(12)10(14)16-11/h5H,1,3-4,6H2,2H3,(H,15,16).
What are the key properties of 3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine?
3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine has a molecular weight of 295.60 g/mol, XLogP of 4.05, 6 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-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 106196882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).