5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one

C8H11ClN2O2 — CID 130722019

IUPAC5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one
SMILESCOC[C@H](N)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O2/c1-13-4-7(10)5-2-6(9)8(12)11-3-5/h2-3,7H,4,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyZWLWODACNBWSOV-ZETCQYMHSA-N
MW202.64 g/mol
LogP0.67
Rot. Bonds3

About 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one

5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one (PubChem CID 130722019) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one
PubChem CID130722019
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one
SMILESCOC[C@H](N)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O2/c1-13-4-7(10)5-2-6(9)8(12)11-3-5/h2-3,7H,4,10H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyZWLWODACNBWSOV-ZETCQYMHSA-N
XLogP0.67
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 130665503
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
5-(1-amino-2-methoxyethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82173711
4-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
CID 55292761
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
4-[(1S)-1-amino-2-methoxyethyl]-6-hydroxy-1H-pyridin-2-one
CID 130658838
5-chloro-N-(2-hydroxy-3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608871
5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763
5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606757
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
CID 130614731
(1S)-1-(3,5-dibromophenyl)-2-methoxyethanamine
CID 131077040
(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
CID 55272435

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one?
The IUPAC name of 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one (CID 130722019) is 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one is COC[C@H](N)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one?
The InChIKey is ZWLWODACNBWSOV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-13-4-7(10)5-2-6(9)8(12)11-3-5/h2-3,7H,4,10H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one?
5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one has a molecular weight of 202.64 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one is sourced from PubChem (CID 130722019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).