2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

C15H13FN4O — CID 163374392

IUPAC2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2c(F)c(C3CNC3)[nH]c2nn1
InChIInChI=1S/C15H13FN4O/c16-13-10-5-11(9-3-1-2-4-12(9)21)19-20-15(10)18-14(13)8-6-17-7-8/h1-5,8,17,21H,6-7H2,(H,18,20)
InChIKeyTYWWLKKCCXTXOK-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.16
Rot. Bonds2

About 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 163374392) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID163374392
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2c(F)c(C3CNC3)[nH]c2nn1
InChIInChI=1S/C15H13FN4O/c16-13-10-5-11(9-3-1-2-4-12(9)21)19-20-15(10)18-14(13)8-6-17-7-8/h1-5,8,17,21H,6-7H2,(H,18,20)
InChIKeyTYWWLKKCCXTXOK-UHFFFAOYSA-N
XLogP2.16
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 163374392) is 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2c(F)c(C3CNC3)[nH]c2nn1.
What is the InChIKey of 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is TYWWLKKCCXTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-10-5-11(9-3-1-2-4-12(9)21)19-20-15(10)18-14(13)8-6-17-7-8/h1-5,8,17,21H,6-7H2,(H,18,20).
What are the key properties of 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 284.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-3-yl)-5-fluoro-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 163374392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).