2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine

C11H10ClN3O — CID 155765634

IUPAC2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
SMILESClc1cc(Oc2cc(C3CC3)[nH]n2)ccn1
InChIInChI=1S/C11H10ClN3O/c12-10-5-8(3-4-13-10)16-11-6-9(14-15-11)7-1-2-7/h3-7H,1-2H2,(H,14,15)
InChIKeyGPFRPTAKMPIWBL-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine

2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine (PubChem CID 155765634) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
PubChem CID155765634
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
SMILESClc1cc(Oc2cc(C3CC3)[nH]n2)ccn1
InChIInChI=1S/C11H10ClN3O/c12-10-5-8(3-4-13-10)16-11-6-9(14-15-11)7-1-2-7/h3-7H,1-2H2,(H,14,15)
InChIKeyGPFRPTAKMPIWBL-UHFFFAOYSA-N
XLogP3.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
The IUPAC name of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine (CID 155765634) is 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
The canonical SMILES for 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine is Clc1cc(Oc2cc(C3CC3)[nH]n2)ccn1.
What is the InChIKey of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
The InChIKey is GPFRPTAKMPIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-5-8(3-4-13-10)16-11-6-9(14-15-11)7-1-2-7/h3-7H,1-2H2,(H,14,15).
What are the key properties of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine has a molecular weight of 235.67 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine is sourced from PubChem (CID 155765634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).