2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol

C15H13ClFN3O — CID 90252771

IUPAC2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2ncc3c(Cl)ccc(F)c32)c1
InChIInChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3
InChIKeyRGRTWEITCGXPDP-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.44
Rot. Bonds2

About 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol

2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 90252771) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID90252771
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2ncc3c(Cl)ccc(F)c32)c1
InChIInChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3
InChIKeyRGRTWEITCGXPDP-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 90252771) is 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-n2ncc3c(Cl)ccc(F)c32)c1.
What is the InChIKey of 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is RGRTWEITCGXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3.
What are the key properties of 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 305.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).