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

C12H12ClN3 — CID 71813489

IUPAC2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClc1ccc(-c2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C12H12ClN3/c13-9-4-5-11(14-8-9)12-7-10-3-1-2-6-16(10)15-12/h4-5,7-8H,1-3,6H2
InChIKeyQAHGEVAGKOYUKC-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds1

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

2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 71813489) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID71813489
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClc1ccc(-c2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C12H12ClN3/c13-9-4-5-11(14-8-9)12-7-10-3-1-2-6-16(10)15-12/h4-5,7-8H,1-3,6H2
InChIKeyQAHGEVAGKOYUKC-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 71813489) is 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Clc1ccc(-c2cc3n(n2)CCCC3)nc1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is QAHGEVAGKOYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-9-4-5-11(14-8-9)12-7-10-3-1-2-6-16(10)15-12/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 233.70 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71813489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).