5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine

C13H9ClN4 — CID 141118064

IUPAC5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine
SMILESClc1ccc(-c2ccnn2-c2cccnc2)nc1
InChIInChI=1S/C13H9ClN4/c14-10-3-4-12(16-8-10)13-5-7-17-18(13)11-2-1-6-15-9-11/h1-9H
InChIKeyTXHPRLDFMUUOFJ-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine

5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine (PubChem CID 141118064) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine
PubChem CID141118064
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine
SMILESClc1ccc(-c2ccnn2-c2cccnc2)nc1
InChIInChI=1S/C13H9ClN4/c14-10-3-4-12(16-8-10)13-5-7-17-18(13)11-2-1-6-15-9-11/h1-9H
InChIKeyTXHPRLDFMUUOFJ-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine?
The IUPAC name of 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine (CID 141118064) is 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine is Clc1ccc(-c2ccnn2-c2cccnc2)nc1.
What is the InChIKey of 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine?
The InChIKey is TXHPRLDFMUUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-10-3-4-12(16-8-10)13-5-7-17-18(13)11-2-1-6-15-9-11/h1-9H.
What are the key properties of 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine?
5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-pyridin-3-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 141118064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).