1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol

C8H9Cl3N2O — CID 102750353

IUPAC1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H9Cl3N2O/c1-4(14)3-12-8-6(10)2-5(9)7(11)13-8/h2,4,14H,3H2,1H3,(H,12,13)
InChIKeyQIWZKIOTMTXMCG-UHFFFAOYSA-N
MW255.53 g/mol
LogP2.83
Rot. Bonds3

About 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol

1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol (PubChem CID 102750353) has the molecular formula C8H9Cl3N2O and a molecular weight of 255.53 g/mol. Its IUPAC name is 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
PubChem CID102750353
Molecular FormulaC8H9Cl3N2O
Molecular Weight255.53 g/mol
Exact Mass253.98
IUPAC Name1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H9Cl3N2O/c1-4(14)3-12-8-6(10)2-5(9)7(11)13-8/h2,4,14H,3H2,1H3,(H,12,13)
InChIKeyQIWZKIOTMTXMCG-UHFFFAOYSA-N
XLogP2.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 102751738
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
3,5,6-trichloro-N-(3-methylsulfanylbutyl)pyridin-2-amine
CID 102751944
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159718
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol
CID 102758874
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102750885
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol (CID 102750353) is 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol is CC(O)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is QIWZKIOTMTXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3N2O/c1-4(14)3-12-8-6(10)2-5(9)7(11)13-8/h2,4,14H,3H2,1H3,(H,12,13).
What are the key properties of 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol?
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 255.53 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 102750353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).