3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine

C18H21ClN2O2 — CID 71853082

IUPAC3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine
SMILESCOc1ccc(C2CCCN2c2ccnc(C)c2Cl)c(OC)c1
InChIInChI=1S/C18H21ClN2O2/c1-12-18(19)16(8-9-20-12)21-10-4-5-15(21)14-7-6-13(22-2)11-17(14)23-3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyHPALZMIRIFRACK-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.40
Rot. Bonds4

About 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine

3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine (PubChem CID 71853082) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine.

Molecular Properties

Compound Name3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine
PubChem CID71853082
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine
SMILESCOc1ccc(C2CCCN2c2ccnc(C)c2Cl)c(OC)c1
InChIInChI=1S/C18H21ClN2O2/c1-12-18(19)16(8-9-20-12)21-10-4-5-15(21)14-7-6-13(22-2)11-17(14)23-3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyHPALZMIRIFRACK-UHFFFAOYSA-N
XLogP4.40
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine?
The IUPAC name of 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine (CID 71853082) is 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine.
What is the SMILES notation for 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine?
The canonical SMILES for 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine is COc1ccc(C2CCCN2c2ccnc(C)c2Cl)c(OC)c1.
What is the InChIKey of 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine?
The InChIKey is HPALZMIRIFRACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-18(19)16(8-9-20-12)21-10-4-5-15(21)14-7-6-13(22-2)11-17(14)23-3/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine?
3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine has a molecular weight of 332.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyridine is sourced from PubChem (CID 71853082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).