2-fluoro-5-(3-phenylpyridazin-4-yl)phenol

C16H11FN2O — CID 86608511

IUPAC2-fluoro-5-(3-phenylpyridazin-4-yl)phenol
SMILESOc1cc(-c2ccnnc2-c2ccccc2)ccc1F
InChIInChI=1S/C16H11FN2O/c17-14-7-6-12(10-15(14)20)13-8-9-18-19-16(13)11-4-2-1-3-5-11/h1-10,20H
InChIKeyJTYGDTPGPXFCNP-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.66
Rot. Bonds2

About 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol

2-fluoro-5-(3-phenylpyridazin-4-yl)phenol (PubChem CID 86608511) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(3-phenylpyridazin-4-yl)phenol
PubChem CID86608511
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name2-fluoro-5-(3-phenylpyridazin-4-yl)phenol
SMILESOc1cc(-c2ccnnc2-c2ccccc2)ccc1F
InChIInChI=1S/C16H11FN2O/c17-14-7-6-12(10-15(14)20)13-8-9-18-19-16(13)11-4-2-1-3-5-11/h1-10,20H
InChIKeyJTYGDTPGPXFCNP-UHFFFAOYSA-N
XLogP3.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol?
The IUPAC name of 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol (CID 86608511) is 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol.
What is the SMILES notation for 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol?
The canonical SMILES for 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol is Oc1cc(-c2ccnnc2-c2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol?
The InChIKey is JTYGDTPGPXFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-14-7-6-12(10-15(14)20)13-8-9-18-19-16(13)11-4-2-1-3-5-11/h1-10,20H.
What are the key properties of 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol?
2-fluoro-5-(3-phenylpyridazin-4-yl)phenol has a molecular weight of 266.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-phenylpyridazin-4-yl)phenol is sourced from PubChem (CID 86608511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).