2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol

C13H12ClFN2O — CID 15456858

IUPAC2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol
SMILESOc1cc(-c2cc3n(n2)CCCC3)c(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-10-7-11(15)9(6-13(10)18)12-5-8-3-1-2-4-17(8)16-12/h5-7,18H,1-4H2
InChIKeyGTMYBCFOFPDARU-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.38
Rot. Bonds1

About 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol

2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol (PubChem CID 15456858) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol
PubChem CID15456858
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol
SMILESOc1cc(-c2cc3n(n2)CCCC3)c(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c14-10-7-11(15)9(6-13(10)18)12-5-8-3-1-2-4-17(8)16-12/h5-7,18H,1-4H2
InChIKeyGTMYBCFOFPDARU-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol?
The IUPAC name of 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol (CID 15456858) is 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol is Oc1cc(-c2cc3n(n2)CCCC3)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol?
The InChIKey is GTMYBCFOFPDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-10-7-11(15)9(6-13(10)18)12-5-8-3-1-2-4-17(8)16-12/h5-7,18H,1-4H2.
What are the key properties of 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol?
2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol has a molecular weight of 266.70 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)phenol is sourced from PubChem (CID 15456858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).