[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol

C11H8Cl2N2O — CID 87929835

IUPAC[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C11H8Cl2N2O/c12-8-1-2-10(13)15-11(8)9-5-7(6-16)3-4-14-9/h1-5,16H,6H2
InChIKeyLTTVCXTZTDWTJK-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.94
Rot. Bonds2

About [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol

[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol (PubChem CID 87929835) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol
PubChem CID87929835
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C11H8Cl2N2O/c12-8-1-2-10(13)15-11(8)9-5-7(6-16)3-4-14-9/h1-5,16H,6H2
InChIKeyLTTVCXTZTDWTJK-UHFFFAOYSA-N
XLogP2.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol (CID 87929835) is [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol is OCc1ccnc(-c2nc(Cl)ccc2Cl)c1.
What is the InChIKey of [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol?
The InChIKey is LTTVCXTZTDWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-8-1-2-10(13)15-11(8)9-5-7(6-16)3-4-14-9/h1-5,16H,6H2.
What are the key properties of [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol?
[2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol has a molecular weight of 255.10 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dichloro-2-pyridinyl)-4-pyridinyl]methanol is sourced from PubChem (CID 87929835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).