2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine

C12H17ClN2 — CID 115688607

IUPAC2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
SMILESCCC1CCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2/c1-2-10-5-7-15(8-10)9-11-4-3-6-14-12(11)13/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyLOBWEVTYHJBTBE-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.97
Rot. Bonds3

About 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine

2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 115688607) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
PubChem CID115688607
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
SMILESCCC1CCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2/c1-2-10-5-7-15(8-10)9-11-4-3-6-14-12(11)13/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyLOBWEVTYHJBTBE-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
1-tert-butyl-4-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine (CID 115688607) is 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine is CCC1CCN(Cc2cccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is LOBWEVTYHJBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-10-5-7-15(8-10)9-11-4-3-6-14-12(11)13/h3-4,6,10H,2,5,7-9H2,1H3.
What are the key properties of 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine?
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 115688607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).