4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one

C11H13ClN2O — CID 178122073

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(Cc2ccc(Cl)nc2)CC1=O
InChIInChI=1S/C11H13ClN2O/c1-14-7-9(5-11(14)15)4-8-2-3-10(12)13-6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyLFHLOQXHKBZYGP-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.76
Rot. Bonds2

About 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one

4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one (PubChem CID 178122073) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
PubChem CID178122073
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(Cc2ccc(Cl)nc2)CC1=O
InChIInChI=1S/C11H13ClN2O/c1-14-7-9(5-11(14)15)4-8-2-3-10(12)13-6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyLFHLOQXHKBZYGP-UHFFFAOYSA-N
XLogP1.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.76
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

3-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one
CID 18759786
4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168505091
4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168660327
1,3,5-tris[(6-chloro-3-pyridinyl)methyl]triazinane
CID 87655819
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799
1-[(6-chloro-3-pyridinyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709493
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026
2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
CID 116811691
cis-(1S,2R)-2-methyl-N-[5-[2-[5-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-pyridinyl]ethynyl]-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 178122712

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one (CID 178122073) is 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one is CN1CC(Cc2ccc(Cl)nc2)CC1=O.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is LFHLOQXHKBZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-14-7-9(5-11(14)15)4-8-2-3-10(12)13-6-8/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one?
4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 178122073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).