2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine

C11H15ClN2 — CID 62471451

IUPAC2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CCCN1Cc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-9-3-2-6-14(9)8-10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyFUMAWBXMTSMUES-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.72
Rot. Bonds2

About 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine

2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 62471451) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
PubChem CID62471451
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCC1CCCN1Cc1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2/c1-9-3-2-6-14(9)8-10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyFUMAWBXMTSMUES-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine (CID 62471451) is 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine is CC1CCCN1Cc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is FUMAWBXMTSMUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-3-2-6-14(9)8-10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 62471451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).