3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine

C9H8ClN3 — CID 118358480

IUPAC3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine
SMILESCc1ncc(-c2cn[nH]c2)cc1Cl
InChIInChI=1S/C9H8ClN3/c1-6-9(10)2-7(3-11-6)8-4-12-13-5-8/h2-5H,1H3,(H,12,13)
InChIKeyIHZSMFYQTIJUIH-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.43
Rot. Bonds1

About 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine

3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine (PubChem CID 118358480) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine
PubChem CID118358480
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine
SMILESCc1ncc(-c2cn[nH]c2)cc1Cl
InChIInChI=1S/C9H8ClN3/c1-6-9(10)2-7(3-11-6)8-4-12-13-5-8/h2-5H,1H3,(H,12,13)
InChIKeyIHZSMFYQTIJUIH-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine?
The IUPAC name of 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine (CID 118358480) is 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine is Cc1ncc(-c2cn[nH]c2)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine?
The InChIKey is IHZSMFYQTIJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-6-9(10)2-7(3-11-6)8-4-12-13-5-8/h2-5H,1H3,(H,12,13).
What are the key properties of 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine?
3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine has a molecular weight of 193.64 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-(1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 118358480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).