[2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol

C15H16FN3O — CID 50965868

IUPAC[2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol
SMILESOCc1cc(-c2ccc(N3CCCC3)nn2)ccc1F
InChIInChI=1S/C15H16FN3O/c16-13-4-3-11(9-12(13)10-20)14-5-6-15(18-17-14)19-7-1-2-8-19/h3-6,9,20H,1-2,7-8,10H2
InChIKeyRNABXTLSKOPIEJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.38
Rot. Bonds3

About [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol

[2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol (PubChem CID 50965868) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol
PubChem CID50965868
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name[2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol
SMILESOCc1cc(-c2ccc(N3CCCC3)nn2)ccc1F
InChIInChI=1S/C15H16FN3O/c16-13-4-3-11(9-12(13)10-20)14-5-6-15(18-17-14)19-7-1-2-8-19/h3-6,9,20H,1-2,7-8,10H2
InChIKeyRNABXTLSKOPIEJ-UHFFFAOYSA-N
XLogP2.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol?
The IUPAC name of [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol (CID 50965868) is [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol?
The canonical SMILES for [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol is OCc1cc(-c2ccc(N3CCCC3)nn2)ccc1F.
What is the InChIKey of [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol?
The InChIKey is RNABXTLSKOPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-4-3-11(9-12(13)10-20)14-5-6-15(18-17-14)19-7-1-2-8-19/h3-6,9,20H,1-2,7-8,10H2.
What are the key properties of [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol?
[2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol has a molecular weight of 273.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol is sourced from PubChem (CID 50965868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).