3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one

C8H11N3O3 — CID 131140729

IUPAC3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one
SMILESCN[C@H](C)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-5(9-2)7-3-6(11(13)14)4-10-8(7)12/h3-5,9H,1-2H3,(H,10,12)/t5-/m1/s1
InChIKeyLEXKTNCCRCBPNQ-RXMQYKEDSA-N
MW197.19 g/mol
LogP0.56
Rot. Bonds3

About 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one

3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one (PubChem CID 131140729) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one
PubChem CID131140729
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one
SMILESCN[C@H](C)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-5(9-2)7-3-6(11(13)14)4-10-8(7)12/h3-5,9H,1-2H3,(H,10,12)/t5-/m1/s1
InChIKeyLEXKTNCCRCBPNQ-RXMQYKEDSA-N
XLogP0.56
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dihydroxymethyl)-5-nitro-1H-pyridin-2-one
CID 118586009
3-[1,2-dihydroxy-3-(methylamino)propyl]-5-nitro-1H-pyridin-2-one
CID 171858342
3-[(1S)-1-aminopropyl]-5-nitro-1H-pyridin-2-one
CID 130644884
3-(3-bromo-1,2-dihydroxypropyl)-5-nitro-1H-pyridin-2-one
CID 171860383
3-iodo-5-nitro-1H-pyridin-2-one
CID 11780423
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 26708469
3-[4-(methylamino)but-1-enyl]-5-nitro-1H-pyridin-2-one
CID 170496115
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
CID 83814946
5-(2,6-dibromo-4-nitrophenoxy)-3-propan-2-yl-1H-pyridin-2-one
CID 172799506
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
CID 82782798
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
CID 143593271

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one (CID 131140729) is 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one is CN[C@H](C)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one?
The InChIKey is LEXKTNCCRCBPNQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(9-2)7-3-6(11(13)14)4-10-8(7)12/h3-5,9H,1-2H3,(H,10,12)/t5-/m1/s1.
What are the key properties of 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one?
3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one has a molecular weight of 197.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 131140729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).