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

C13H14ClN3O — CID 71813658

IUPAC2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClc1cccc(COc2cc3n(n2)CCCC3)n1
InChIInChI=1S/C13H14ClN3O/c14-12-6-3-4-10(15-12)9-18-13-8-11-5-1-2-7-17(11)16-13/h3-4,6,8H,1-2,5,7,9H2
InChIKeySTQLZLWREACPIX-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.85
Rot. Bonds3

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

2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 71813658) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID71813658
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESClc1cccc(COc2cc3n(n2)CCCC3)n1
InChIInChI=1S/C13H14ClN3O/c14-12-6-3-4-10(15-12)9-18-13-8-11-5-1-2-7-17(11)16-13/h3-4,6,8H,1-2,5,7,9H2
InChIKeySTQLZLWREACPIX-UHFFFAOYSA-N
XLogP2.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 71813658) is 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Clc1cccc(COc2cc3n(n2)CCCC3)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is STQLZLWREACPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-6-3-4-10(15-12)9-18-13-8-11-5-1-2-7-17(11)16-13/h3-4,6,8H,1-2,5,7,9H2.
What are the key properties of 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 263.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71813658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).