3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine

C9H12ClN3 — CID 118438437

IUPAC3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine
SMILESCC1CN(c2cccnc2)NC1Cl
InChIInChI=1S/C9H12ClN3/c1-7-6-13(12-9(7)10)8-3-2-4-11-5-8/h2-5,7,9,12H,6H2,1H3
InChIKeyWZEAEJJPYQOIMF-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.61
Rot. Bonds1

About 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine

3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine (PubChem CID 118438437) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine
PubChem CID118438437
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine
SMILESCC1CN(c2cccnc2)NC1Cl
InChIInChI=1S/C9H12ClN3/c1-7-6-13(12-9(7)10)8-3-2-4-11-5-8/h2-5,7,9,12H,6H2,1H3
InChIKeyWZEAEJJPYQOIMF-UHFFFAOYSA-N
XLogP1.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine?
The IUPAC name of 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine (CID 118438437) is 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine.
What is the SMILES notation for 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine?
The canonical SMILES for 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine is CC1CN(c2cccnc2)NC1Cl.
What is the InChIKey of 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine?
The InChIKey is WZEAEJJPYQOIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-7-6-13(12-9(7)10)8-3-2-4-11-5-8/h2-5,7,9,12H,6H2,1H3.
What are the key properties of 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine?
3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine has a molecular weight of 197.67 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylpyrazolidin-1-yl)pyridine is sourced from PubChem (CID 118438437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).