2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine

C12H7Cl2N3S — CID 86657918

IUPAC2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
SMILESClc1cc(-c2cn[nH]c2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C12H7Cl2N3S/c13-10-5-7(3-4-15-10)8-6-16-17-12(8)9-1-2-11(14)18-9/h1-6H,(H,16,17)
InChIKeyIAIRAZKPUCOKAT-UHFFFAOYSA-N
MW296.18 g/mol
LogP4.51
Rot. Bonds2

About 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine

2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 86657918) has the molecular formula C12H7Cl2N3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID86657918
Molecular FormulaC12H7Cl2N3S
Molecular Weight296.18 g/mol
Exact Mass294.97
IUPAC Name2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
SMILESClc1cc(-c2cn[nH]c2-c2ccc(Cl)s2)ccn1
InChIInChI=1S/C12H7Cl2N3S/c13-10-5-7(3-4-15-10)8-6-16-17-12(8)9-1-2-11(14)18-9/h1-6H,(H,16,17)
InChIKeyIAIRAZKPUCOKAT-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 54.51
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-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine (CID 86657918) is 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine is Clc1cc(-c2cn[nH]c2-c2ccc(Cl)s2)ccn1.
What is the InChIKey of 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is IAIRAZKPUCOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3S/c13-10-5-7(3-4-15-10)8-6-16-17-12(8)9-1-2-11(14)18-9/h1-6H,(H,16,17).
What are the key properties of 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 296.18 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 86657918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).