5-chloro-2-(4-methylpyrazol-1-yl)pyridine

C9H8ClN3 — CID 66233680

IUPAC5-chloro-2-(4-methylpyrazol-1-yl)pyridine
SMILESCc1cnn(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C9H8ClN3/c1-7-4-12-13(6-7)9-3-2-8(10)5-11-9/h2-6H,1H3
InChIKeyORDKCOSVKKZUCU-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.23
Rot. Bonds1

About 5-chloro-2-(4-methylpyrazol-1-yl)pyridine

5-chloro-2-(4-methylpyrazol-1-yl)pyridine (PubChem CID 66233680) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 5-chloro-2-(4-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-methylpyrazol-1-yl)pyridine
PubChem CID66233680
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name5-chloro-2-(4-methylpyrazol-1-yl)pyridine
SMILESCc1cnn(-c2ccc(Cl)cn2)c1
InChIInChI=1S/C9H8ClN3/c1-7-4-12-13(6-7)9-3-2-8(10)5-11-9/h2-6H,1H3
InChIKeyORDKCOSVKKZUCU-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylpyrazol-1-yl)pyridine?
The IUPAC name of 5-chloro-2-(4-methylpyrazol-1-yl)pyridine (CID 66233680) is 5-chloro-2-(4-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(4-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-chloro-2-(4-methylpyrazol-1-yl)pyridine is Cc1cnn(-c2ccc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-(4-methylpyrazol-1-yl)pyridine?
The InChIKey is ORDKCOSVKKZUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-7-4-12-13(6-7)9-3-2-8(10)5-11-9/h2-6H,1H3.
What are the key properties of 5-chloro-2-(4-methylpyrazol-1-yl)pyridine?
5-chloro-2-(4-methylpyrazol-1-yl)pyridine has a molecular weight of 193.64 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 66233680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).