dideuterio-(4,6-dichloro-3-pyridinyl)methanol

C6H5Cl2NO — CID 171364953

IUPACdideuterio-(4,6-dichloro-3-pyridinyl)methanol
SMILES[2H]C([2H])(O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-2,10H,3H2/i3D2
InChIKeyVDXWCRIARMBDOX-SMZGMGDZSA-N
MW180.03 g/mol
LogP1.88
Rot. Bonds1

About dideuterio-(4,6-dichloro-3-pyridinyl)methanol

dideuterio-(4,6-dichloro-3-pyridinyl)methanol (PubChem CID 171364953) has the molecular formula C6H5Cl2NO and a molecular weight of 180.03 g/mol. Its IUPAC name is dideuterio-(4,6-dichloro-3-pyridinyl)methanol.

Molecular Properties

Compound Namedideuterio-(4,6-dichloro-3-pyridinyl)methanol
PubChem CID171364953
Molecular FormulaC6H5Cl2NO
Molecular Weight180.03 g/mol
Exact Mass178.99
IUPAC Namedideuterio-(4,6-dichloro-3-pyridinyl)methanol
SMILES[2H]C([2H])(O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C6H5Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-2,10H,3H2/i3D2
InChIKeyVDXWCRIARMBDOX-SMZGMGDZSA-N
XLogP1.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 51.88
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 dideuterio-(4,6-dichloro-3-pyridinyl)methanol?
The IUPAC name of dideuterio-(4,6-dichloro-3-pyridinyl)methanol (CID 171364953) is dideuterio-(4,6-dichloro-3-pyridinyl)methanol.
What is the SMILES notation for dideuterio-(4,6-dichloro-3-pyridinyl)methanol?
The canonical SMILES for dideuterio-(4,6-dichloro-3-pyridinyl)methanol is [2H]C([2H])(O)c1cnc(Cl)cc1Cl.
What is the InChIKey of dideuterio-(4,6-dichloro-3-pyridinyl)methanol?
The InChIKey is VDXWCRIARMBDOX-SMZGMGDZSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-2,10H,3H2/i3D2.
What are the key properties of dideuterio-(4,6-dichloro-3-pyridinyl)methanol?
dideuterio-(4,6-dichloro-3-pyridinyl)methanol has a molecular weight of 180.03 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(4,6-dichloro-3-pyridinyl)methanol is sourced from PubChem (CID 171364953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).