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

C10H13Cl3N2O — CID 102751939

IUPAC3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
SMILESCC(C)C(O)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl3N2O/c1-5(2)8(16)4-14-10-7(12)3-6(11)9(13)15-10/h3,5,8,16H,4H2,1-2H3,(H,14,15)
InChIKeySNWPCDQLZBDPLH-UHFFFAOYSA-N
MW283.59 g/mol
LogP3.47
Rot. Bonds4

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

3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol (PubChem CID 102751939) has the molecular formula C10H13Cl3N2O and a molecular weight of 283.59 g/mol. Its IUPAC name is 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
PubChem CID102751939
Molecular FormulaC10H13Cl3N2O
Molecular Weight283.59 g/mol
Exact Mass282.01
IUPAC Name3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
SMILESCC(C)C(O)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl3N2O/c1-5(2)8(16)4-14-10-7(12)3-6(11)9(13)15-10/h3,5,8,16H,4H2,1-2H3,(H,14,15)
InChIKeySNWPCDQLZBDPLH-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 53.47
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

1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
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
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
3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106196882
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 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol (CID 102751939) is 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol is CC(C)C(O)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is SNWPCDQLZBDPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3N2O/c1-5(2)8(16)4-14-10-7(12)3-6(11)9(13)15-10/h3,5,8,16H,4H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol?
3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol has a molecular weight of 283.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 102751939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).