[3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol

C13H10Cl2FN3O — CID 123543255

IUPAC[3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol
SMILESOCc1cc(Cl)c(C/N=N/c2ccc(F)cn2)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN3O/c14-11-3-8(7-20)4-12(15)10(11)6-18-19-13-2-1-9(16)5-17-13/h1-5,20H,6-7H2/b19-18+
InChIKeyGOOFMOABLVNAHO-VHEBQXMUSA-N
MW314.15 g/mol
LogP4.30
Rot. Bonds4

About [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol

[3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol (PubChem CID 123543255) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol
PubChem CID123543255
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name[3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol
SMILESOCc1cc(Cl)c(C/N=N/c2ccc(F)cn2)c(Cl)c1
InChIInChI=1S/C13H10Cl2FN3O/c14-11-3-8(7-20)4-12(15)10(11)6-18-19-13-2-1-9(16)5-17-13/h1-5,20H,6-7H2/b19-18+
InChIKeyGOOFMOABLVNAHO-VHEBQXMUSA-N
XLogP4.30
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol?
The IUPAC name of [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol (CID 123543255) is [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol is OCc1cc(Cl)c(C/N=N/c2ccc(F)cn2)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol?
The InChIKey is GOOFMOABLVNAHO-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c14-11-3-8(7-20)4-12(15)10(11)6-18-19-13-2-1-9(16)5-17-13/h1-5,20H,6-7H2/b19-18+.
What are the key properties of [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol?
[3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol has a molecular weight of 314.15 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[[(5-fluoro-2-pyridinyl)diazenyl]methyl]phenyl]methanol is sourced from PubChem (CID 123543255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).