4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine

C12H17ClN2 — CID 130834648

IUPAC4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CCN(Cc2cc(Cl)ccn2)C1C
InChIInChI=1S/C12H17ClN2/c1-9-4-6-15(10(9)2)8-12-7-11(13)3-5-14-12/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyXFJNWSBHKOXAMT-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.97
Rot. Bonds2

About 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine

4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 130834648) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine
PubChem CID130834648
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CCN(Cc2cc(Cl)ccn2)C1C
InChIInChI=1S/C12H17ClN2/c1-9-4-6-15(10(9)2)8-12-7-11(13)3-5-14-12/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyXFJNWSBHKOXAMT-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine (CID 130834648) is 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine is CC1CCN(Cc2cc(Cl)ccn2)C1C.
What is the InChIKey of 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is XFJNWSBHKOXAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-4-6-15(10(9)2)8-12-7-11(13)3-5-14-12/h3,5,7,9-10H,4,6,8H2,1-2H3.
What are the key properties of 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine?
4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 130834648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).