2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol

C16H16FN3O — CID 118496546

IUPAC2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1nn(-c2cncc(C(C)(C)O)c2)c2cccc(F)c12
InChIInChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3
InChIKeyFIYGPZYNIQQISM-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.10
Rot. Bonds2

About 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol

2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 118496546) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID118496546
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1nn(-c2cncc(C(C)(C)O)c2)c2cccc(F)c12
InChIInChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3
InChIKeyFIYGPZYNIQQISM-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 118496546) is 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is Cc1nn(-c2cncc(C(C)(C)O)c2)c2cccc(F)c12.
What is the InChIKey of 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is FIYGPZYNIQQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-15-13(17)5-4-6-14(15)20(19-10)12-7-11(8-18-9-12)16(2,3)21/h4-9,21H,1-3H3.
What are the key properties of 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 285.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 118496546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).