2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol

C15H14FN3O — CID 75593332

IUPAC2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2ncc3cccc(F)c32)c1
InChIInChI=1S/C15H14FN3O/c1-15(2,20)11-6-12(9-17-8-11)19-14-10(7-18-19)4-3-5-13(14)16/h3-9,20H,1-2H3
InChIKeyTVUFOCSAPIPYJV-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.79
Rot. Bonds2

About 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol

2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 75593332) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID75593332
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2ncc3cccc(F)c32)c1
InChIInChI=1S/C15H14FN3O/c1-15(2,20)11-6-12(9-17-8-11)19-14-10(7-18-19)4-3-5-13(14)16/h3-9,20H,1-2H3
InChIKeyTVUFOCSAPIPYJV-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 75593332) is 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-n2ncc3cccc(F)c32)c1.
What is the InChIKey of 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is TVUFOCSAPIPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-15(2,20)11-6-12(9-17-8-11)19-14-10(7-18-19)4-3-5-13(14)16/h3-9,20H,1-2H3.
What are the key properties of 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 271.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 75593332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).