2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol

C13H11Cl2FN2O — CID 15456859

IUPAC2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol
SMILESOc1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C13H11Cl2FN2O/c14-8-6-9(16)7(5-11(8)19)13-12(15)10-3-1-2-4-18(10)17-13/h5-6,19H,1-4H2
InChIKeyMZLAJXWITYXAMJ-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.04
Rot. Bonds1

About 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol

2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol (PubChem CID 15456859) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol
PubChem CID15456859
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol
SMILESOc1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C13H11Cl2FN2O/c14-8-6-9(16)7(5-11(8)19)13-12(15)10-3-1-2-4-18(10)17-13/h5-6,19H,1-4H2
InChIKeyMZLAJXWITYXAMJ-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol?
The IUPAC name of 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol (CID 15456859) is 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol?
The canonical SMILES for 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol is Oc1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl.
What is the InChIKey of 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol?
The InChIKey is MZLAJXWITYXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c14-8-6-9(16)7(5-11(8)19)13-12(15)10-3-1-2-4-18(10)17-13/h5-6,19H,1-4H2.
What are the key properties of 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol?
2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol has a molecular weight of 301.15 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-fluorophenol is sourced from PubChem (CID 15456859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).