3,5,5-trichloro-4H-pyridin-2-ol

C5H4Cl3NO — CID 151112388

IUPAC3,5,5-trichloro-4H-pyridin-2-ol
SMILESOC1=C(Cl)CC(Cl)(Cl)C=N1
InChIInChI=1S/C5H4Cl3NO/c6-3-1-5(7,8)2-9-4(3)10/h2,10H,1H2
InChIKeyMQKKMEOOUVUSNC-UHFFFAOYSA-N
MW200.45 g/mol
LogP2.60
Rot. Bonds

About 3,5,5-trichloro-4H-pyridin-2-ol

3,5,5-trichloro-4H-pyridin-2-ol (PubChem CID 151112388) has the molecular formula C5H4Cl3NO and a molecular weight of 200.45 g/mol. Its IUPAC name is 3,5,5-trichloro-4H-pyridin-2-ol.

Molecular Properties

Compound Name3,5,5-trichloro-4H-pyridin-2-ol
PubChem CID151112388
Molecular FormulaC5H4Cl3NO
Molecular Weight200.45 g/mol
Exact Mass198.94
IUPAC Name3,5,5-trichloro-4H-pyridin-2-ol
SMILESOC1=C(Cl)CC(Cl)(Cl)C=N1
InChIInChI=1S/C5H4Cl3NO/c6-3-1-5(7,8)2-9-4(3)10/h2,10H,1H2
InChIKeyMQKKMEOOUVUSNC-UHFFFAOYSA-N
XLogP2.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trichloro-4H-pyridin-2-ol?
The IUPAC name of 3,5,5-trichloro-4H-pyridin-2-ol (CID 151112388) is 3,5,5-trichloro-4H-pyridin-2-ol.
What is the SMILES notation for 3,5,5-trichloro-4H-pyridin-2-ol?
The canonical SMILES for 3,5,5-trichloro-4H-pyridin-2-ol is OC1=C(Cl)CC(Cl)(Cl)C=N1.
What is the InChIKey of 3,5,5-trichloro-4H-pyridin-2-ol?
The InChIKey is MQKKMEOOUVUSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3NO/c6-3-1-5(7,8)2-9-4(3)10/h2,10H,1H2.
What are the key properties of 3,5,5-trichloro-4H-pyridin-2-ol?
3,5,5-trichloro-4H-pyridin-2-ol has a molecular weight of 200.45 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trichloro-4H-pyridin-2-ol is sourced from PubChem (CID 151112388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).