(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol

C8H6Cl3NO — CID 164511358

IUPAC(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
SMILESO/C(=C\c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-5,13H/b7-5-
InChIKeyIPASCCUJLJWDQH-ALCCZGGFSA-N
MW238.50 g/mol
LogP3.35
Rot. Bonds1

About (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol

(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol (PubChem CID 164511358) has the molecular formula C8H6Cl3NO and a molecular weight of 238.50 g/mol. Its IUPAC name is (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
PubChem CID164511358
Molecular FormulaC8H6Cl3NO
Molecular Weight238.50 g/mol
Exact Mass236.95
IUPAC Name(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol
SMILESO/C(=C\c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-5,13H/b7-5-
InChIKeyIPASCCUJLJWDQH-ALCCZGGFSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol?
The IUPAC name of (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol (CID 164511358) is (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol.
What is the SMILES notation for (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol?
The canonical SMILES for (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol is O/C(=C\c1ccccn1)C(Cl)(Cl)Cl.
What is the InChIKey of (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol?
The InChIKey is IPASCCUJLJWDQH-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H6Cl3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-5,13H/b7-5-.
What are the key properties of (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol?
(Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol has a molecular weight of 238.50 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trichloro-1-pyridin-2-ylprop-1-en-2-ol is sourced from PubChem (CID 164511358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).