5-chloro-2-(1-methylpyrazol-3-yl)pyridine

C9H8ClN3 — CID 162761078

IUPAC5-chloro-2-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C9H8ClN3/c1-13-5-4-9(12-13)8-3-2-7(10)6-11-8/h2-6H,1H3
InChIKeyFBUIUZZBFBNEOL-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.14
Rot. Bonds1

About 5-chloro-2-(1-methylpyrazol-3-yl)pyridine

5-chloro-2-(1-methylpyrazol-3-yl)pyridine (PubChem CID 162761078) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 5-chloro-2-(1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(1-methylpyrazol-3-yl)pyridine
PubChem CID162761078
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name5-chloro-2-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C9H8ClN3/c1-13-5-4-9(12-13)8-3-2-7(10)6-11-8/h2-6H,1H3
InChIKeyFBUIUZZBFBNEOL-UHFFFAOYSA-N
XLogP2.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylpyrazol-3-yl)pyridine?
The IUPAC name of 5-chloro-2-(1-methylpyrazol-3-yl)pyridine (CID 162761078) is 5-chloro-2-(1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-chloro-2-(1-methylpyrazol-3-yl)pyridine is Cn1ccc(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-(1-methylpyrazol-3-yl)pyridine?
The InChIKey is FBUIUZZBFBNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-13-5-4-9(12-13)8-3-2-7(10)6-11-8/h2-6H,1H3.
What are the key properties of 5-chloro-2-(1-methylpyrazol-3-yl)pyridine?
5-chloro-2-(1-methylpyrazol-3-yl)pyridine has a molecular weight of 193.64 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 162761078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).