3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol

C18H16ClFN2O — CID 68883514

IUPAC3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol
SMILESOc1cccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)c1F
InChIInChI=1S/C18H16ClFN2O/c19-14-9-3-8-13-17(12-7-4-10-15(23)16(12)20)21-22(18(13)14)11-5-1-2-6-11/h3-4,7-11,23H,1-2,5-6H2
InChIKeyFBSKAMSOKDQSNA-UHFFFAOYSA-N
MW330.79 g/mol
LogP5.32
Rot. Bonds2

About 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol

3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol (PubChem CID 68883514) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol.

Molecular Properties

Compound Name3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol
PubChem CID68883514
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol
SMILESOc1cccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)c1F
InChIInChI=1S/C18H16ClFN2O/c19-14-9-3-8-13-17(12-7-4-10-15(23)16(12)20)21-22(18(13)14)11-5-1-2-6-11/h3-4,7-11,23H,1-2,5-6H2
InChIKeyFBSKAMSOKDQSNA-UHFFFAOYSA-N
XLogP5.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.79
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol?
The IUPAC name of 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol (CID 68883514) is 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol.
What is the SMILES notation for 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol?
The canonical SMILES for 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol is Oc1cccc(-c2nn(C3CCCC3)c3c(Cl)cccc23)c1F.
What is the InChIKey of 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol?
The InChIKey is FBSKAMSOKDQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c19-14-9-3-8-13-17(12-7-4-10-15(23)16(12)20)21-22(18(13)14)11-5-1-2-6-11/h3-4,7-11,23H,1-2,5-6H2.
What are the key properties of 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol?
3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol has a molecular weight of 330.79 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-cyclopentylindazol-3-yl)-2-fluorophenol is sourced from PubChem (CID 68883514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).