3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one

C10H12ClNO2 — CID 129494172

IUPAC3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
SMILESO=c1c(CCl)cccn1[C@H]1CCOC1
InChIInChI=1S/C10H12ClNO2/c11-6-8-2-1-4-12(10(8)13)9-3-5-14-7-9/h1-2,4,9H,3,5-7H2/t9-/m0/s1
InChIKeyFEQTWUDTXGBLFL-VIFPVBQESA-N
MW213.66 g/mol
LogP1.55
Rot. Bonds2

About 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one

3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one (PubChem CID 129494172) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
PubChem CID129494172
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
SMILESO=c1c(CCl)cccn1[C@H]1CCOC1
InChIInChI=1S/C10H12ClNO2/c11-6-8-2-1-4-12(10(8)13)9-3-5-14-7-9/h1-2,4,9H,3,5-7H2/t9-/m0/s1
InChIKeyFEQTWUDTXGBLFL-VIFPVBQESA-N
XLogP1.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
CID 137441431
1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545
1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383698
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one
CID 174225933
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one (CID 129494172) is 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one is O=c1c(CCl)cccn1[C@H]1CCOC1.
What is the InChIKey of 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The InChIKey is FEQTWUDTXGBLFL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-6-8-2-1-4-12(10(8)13)9-3-5-14-7-9/h1-2,4,9H,3,5-7H2/t9-/m0/s1.
What are the key properties of 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one has a molecular weight of 213.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one is sourced from PubChem (CID 129494172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).