(2,5-dichloro-4-pyridinyl)methanol

C6H5Cl2NO — CID 1480674

IUPAC(2,5-dichloro-4-pyridinyl)methanol
SMILESOCc1cc(Cl)ncc1Cl
InChIInChI=1S/C6H5Cl2NO/c7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2
InChIKeyANEJVRSCWQZIPR-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.88
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)methanol

(2,5-dichloro-4-pyridinyl)methanol (PubChem CID 1480674) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)methanol
PubChem CID1480674
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name(2,5-dichloro-4-pyridinyl)methanol
SMILESOCc1cc(Cl)ncc1Cl
InChIInChI=1S/C6H5Cl2NO/c7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2
InChIKeyANEJVRSCWQZIPR-UHFFFAOYSA-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 ≤ 500178.02
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 (2,5-dichloro-4-pyridinyl)methanol?
The IUPAC name of (2,5-dichloro-4-pyridinyl)methanol (CID 1480674) is (2,5-dichloro-4-pyridinyl)methanol.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)methanol?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)methanol is OCc1cc(Cl)ncc1Cl.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)methanol?
The InChIKey is ANEJVRSCWQZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2.
What are the key properties of (2,5-dichloro-4-pyridinyl)methanol?
(2,5-dichloro-4-pyridinyl)methanol has a molecular weight of 178.02 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 (2,5-dichloro-4-pyridinyl)methanol is sourced from PubChem (CID 1480674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).