2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone

C10H16ClNO2 — CID 58782033

IUPAC2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
SMILESCOC[C@@H]1CC(C(=O)CCl)=CCN1C
InChIInChI=1S/C10H16ClNO2/c1-12-4-3-8(10(13)6-11)5-9(12)7-14-2/h3,9H,4-7H2,1-2H3/t9-/m0/s1
InChIKeyNGKYBPDUDRMXKV-VIFPVBQESA-N
MW217.70 g/mol
LogP1.07
Rot. Bonds4

About 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone

2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone (PubChem CID 58782033) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
PubChem CID58782033
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
SMILESCOC[C@@H]1CC(C(=O)CCl)=CCN1C
InChIInChI=1S/C10H16ClNO2/c1-12-4-3-8(10(13)6-11)5-9(12)7-14-2/h3,9H,4-7H2,1-2H3/t9-/m0/s1
InChIKeyNGKYBPDUDRMXKV-VIFPVBQESA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.07
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

2-chloro-1-[(2S)-2-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 58782019
methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 58781901
(4Z)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176663957
2-chloro-1-(1-methyl-2H-pyridin-4-yl)ethanone
CID 138472978
(4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568175
4-(difluoromethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 176568485
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745
[(2S)-1-methyl-4-(2-sulfanylidene-3H-1,3-thiazol-4-yl)-3,6-dihydro-2H-pyridin-2-yl]methyl carbamate
CID 58781884
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508
7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 58014306
4-(benzenesulfonyl)-2,6-bis(methoxymethyl)-1-methylpiperazine
CID 67277826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone (CID 58782033) is 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone is COC[C@@H]1CC(C(=O)CCl)=CCN1C.
What is the InChIKey of 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
The InChIKey is NGKYBPDUDRMXKV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-12-4-3-8(10(13)6-11)5-9(12)7-14-2/h3,9H,4-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone?
2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone has a molecular weight of 217.70 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone is sourced from PubChem (CID 58782033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).