4,6-dichlorobenzene-1,3-diol;bis(pyridine)

C16H14Cl2N2O2 — CID 139041170

IUPAC4,6-dichlorobenzene-1,3-diol;bis(pyridine)
SMILESOc1cc(O)c(Cl)cc1Cl.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H4Cl2O2.2C5H5N/c7-3-1-4(8)6(10)2-5(3)9;2*1-2-4-6-5-3-1/h1-2,9-10H;2*1-5H
InChIKeyXEMVICJSPFZBSJ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.57
Rot. Bonds

About 4,6-dichlorobenzene-1,3-diol;bis(pyridine)

4,6-dichlorobenzene-1,3-diol;bis(pyridine) (PubChem CID 139041170) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 4,6-dichlorobenzene-1,3-diol;bis(pyridine).

Molecular Properties

Compound Name4,6-dichlorobenzene-1,3-diol;bis(pyridine)
PubChem CID139041170
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name4,6-dichlorobenzene-1,3-diol;bis(pyridine)
SMILESOc1cc(O)c(Cl)cc1Cl.c1ccncc1.c1ccncc1
InChIInChI=1S/C6H4Cl2O2.2C5H5N/c7-3-1-4(8)6(10)2-5(3)9;2*1-2-4-6-5-3-1/h1-2,9-10H;2*1-5H
InChIKeyXEMVICJSPFZBSJ-UHFFFAOYSA-N
XLogP4.57
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichlorobenzene-1,3-diol;bis(pyridine)?
The IUPAC name of 4,6-dichlorobenzene-1,3-diol;bis(pyridine) (CID 139041170) is 4,6-dichlorobenzene-1,3-diol;bis(pyridine).
What is the SMILES notation for 4,6-dichlorobenzene-1,3-diol;bis(pyridine)?
The canonical SMILES for 4,6-dichlorobenzene-1,3-diol;bis(pyridine) is Oc1cc(O)c(Cl)cc1Cl.c1ccncc1.c1ccncc1.
What is the InChIKey of 4,6-dichlorobenzene-1,3-diol;bis(pyridine)?
The InChIKey is XEMVICJSPFZBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O2.2C5H5N/c7-3-1-4(8)6(10)2-5(3)9;2*1-2-4-6-5-3-1/h1-2,9-10H;2*1-5H.
What are the key properties of 4,6-dichlorobenzene-1,3-diol;bis(pyridine)?
4,6-dichlorobenzene-1,3-diol;bis(pyridine) has a molecular weight of 337.21 g/mol, XLogP of 4.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichlorobenzene-1,3-diol;bis(pyridine) is sourced from PubChem (CID 139041170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).