1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one

C12H9ClN2O3 — CID 714064

IUPAC1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
SMILESO=c1c([N+](=O)[O-])cccn1Cc1ccccc1Cl
InChIInChI=1S/C12H9ClN2O3/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(12(14)16)15(17)18/h1-7H,8H2
InChIKeyRQADPMVNKSDMGM-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.46
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one

1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one (PubChem CID 714064) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
PubChem CID714064
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
SMILESO=c1c([N+](=O)[O-])cccn1Cc1ccccc1Cl
InChIInChI=1S/C12H9ClN2O3/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(12(14)16)15(17)18/h1-7H,8H2
InChIKeyRQADPMVNKSDMGM-UHFFFAOYSA-N
XLogP2.46
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.46
H-Bond Donors ≤ 50
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

1-[(2-chloro-5-nitrophenyl)methyl]-3-nitropyridin-2-one
CID 62101627
methyl 4-chloro-3-[(3-nitro-2-oxo-1-pyridinyl)methyl]benzoate
CID 75519039
1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
CID 79785092
2-methyl-1-[(2-nitrophenyl)methyl]pyrrole
CID 58636935
1,3-bis[(2-chlorophenyl)methyl]-5,6-dinitrobenzimidazol-2-one
CID 2853723
3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 55035431
1-(2-methylpropyl)-3-nitropyridin-2-one
CID 90225152
3-nitro-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 100669210
3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one
CID 51105500
1-[(6-amino-2-pyridinyl)methyl]-3-nitropyridin-2-one
CID 79230769
3-chloro-1-[2-(2-nitrophenyl)ethyl]pyrazin-2-one
CID 114561625
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one (CID 714064) is 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one is O=c1c([N+](=O)[O-])cccn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one?
The InChIKey is RQADPMVNKSDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(12(14)16)15(17)18/h1-7H,8H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one?
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one has a molecular weight of 264.67 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one is sourced from PubChem (CID 714064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).