3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C13H12ClFN2 — CID 95564175

IUPAC3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFc1cc(Cl)ccc1-c1cnn2c1CCCC2
InChIInChI=1S/C13H12ClFN2/c14-9-4-5-10(12(15)7-9)11-8-16-17-6-2-1-3-13(11)17/h4-5,7-8H,1-3,6H2
InChIKeyLAIABLFOCQWZIF-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.68
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 95564175) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID95564175
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFc1cc(Cl)ccc1-c1cnn2c1CCCC2
InChIInChI=1S/C13H12ClFN2/c14-9-4-5-10(12(15)7-9)11-8-16-17-6-2-1-3-13(11)17/h4-5,7-8H,1-3,6H2
InChIKeyLAIABLFOCQWZIF-UHFFFAOYSA-N
XLogP3.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 95564175) is 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Fc1cc(Cl)ccc1-c1cnn2c1CCCC2.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is LAIABLFOCQWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-9-4-5-10(12(15)7-9)11-8-16-17-6-2-1-3-13(11)17/h4-5,7-8H,1-3,6H2.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 250.70 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 95564175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).