(2,4,6-trichloro-3-pyridinyl)methanol

C6H4Cl3NO — CID 71301503

IUPAC(2,4,6-trichloro-3-pyridinyl)methanol
SMILESOCc1c(Cl)cc(Cl)nc1Cl
InChIInChI=1S/C6H4Cl3NO/c7-4-1-5(8)10-6(9)3(4)2-11/h1,11H,2H2
InChIKeyGAXGSDVCHFFUOP-UHFFFAOYSA-N
MW212.46 g/mol
LogP2.53
Rot. Bonds1

About (2,4,6-trichloro-3-pyridinyl)methanol

(2,4,6-trichloro-3-pyridinyl)methanol (PubChem CID 71301503) has the molecular formula C6H4Cl3NO and a molecular weight of 212.46 g/mol. Its IUPAC name is (2,4,6-trichloro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,4,6-trichloro-3-pyridinyl)methanol
PubChem CID71301503
Molecular FormulaC6H4Cl3NO
Molecular Weight212.46 g/mol
Exact Mass210.94
IUPAC Name(2,4,6-trichloro-3-pyridinyl)methanol
SMILESOCc1c(Cl)cc(Cl)nc1Cl
InChIInChI=1S/C6H4Cl3NO/c7-4-1-5(8)10-6(9)3(4)2-11/h1,11H,2H2
InChIKeyGAXGSDVCHFFUOP-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichloro-3-pyridinyl)methanol?
The IUPAC name of (2,4,6-trichloro-3-pyridinyl)methanol (CID 71301503) is (2,4,6-trichloro-3-pyridinyl)methanol.
What is the SMILES notation for (2,4,6-trichloro-3-pyridinyl)methanol?
The canonical SMILES for (2,4,6-trichloro-3-pyridinyl)methanol is OCc1c(Cl)cc(Cl)nc1Cl.
What is the InChIKey of (2,4,6-trichloro-3-pyridinyl)methanol?
The InChIKey is GAXGSDVCHFFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO/c7-4-1-5(8)10-6(9)3(4)2-11/h1,11H,2H2.
What are the key properties of (2,4,6-trichloro-3-pyridinyl)methanol?
(2,4,6-trichloro-3-pyridinyl)methanol has a molecular weight of 212.46 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichloro-3-pyridinyl)methanol is sourced from PubChem (CID 71301503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).