1-(3-nitro-2-pyridinyl)-2-phenylethanone

C13H10N2O3 — CID 19034910

IUPAC1-(3-nitro-2-pyridinyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c16-12(9-10-5-2-1-3-6-10)13-11(15(17)18)7-4-8-14-13/h1-8H,9H2
InChIKeyBIFVUOCQWCRIRQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-nitro-2-pyridinyl)-2-phenylethanone

1-(3-nitro-2-pyridinyl)-2-phenylethanone (PubChem CID 19034910) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)-2-phenylethanone
PubChem CID19034910
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-(3-nitro-2-pyridinyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c16-12(9-10-5-2-1-3-6-10)13-11(15(17)18)7-4-8-14-13/h1-8H,9H2
InChIKeyBIFVUOCQWCRIRQ-UHFFFAOYSA-N
XLogP2.42
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.42
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'}

Analyze 1-(3-nitro-2-pyridinyl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-nitropyridine-2-carboxylate
CID 19034701
chloro 3-nitropyridine-2-carboxylate
CID 174298858
3-nitro-2-prop-1-en-2-ylpyridine
CID 170548751
1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
bis(2-nitrobenzoic acid);pyrimidin-2-amine
CID 87271510
2-nitro-5-(2-phenylacetyl)benzoic acid
CID 70152751
3-nitro-N-phenylmethoxypyridin-2-amine
CID 9108958
2-chloro-2-[3-nitro-2-(2-phenylacetyl)phenyl]acetic acid
CID 173450765
2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 28848522
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-2-pyridinyl)-2-phenylethanone?
The IUPAC name of 1-(3-nitro-2-pyridinyl)-2-phenylethanone (CID 19034910) is 1-(3-nitro-2-pyridinyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)-2-phenylethanone?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)-2-phenylethanone is O=C(Cc1ccccc1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-nitro-2-pyridinyl)-2-phenylethanone?
The InChIKey is BIFVUOCQWCRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12(9-10-5-2-1-3-6-10)13-11(15(17)18)7-4-8-14-13/h1-8H,9H2.
What are the key properties of 1-(3-nitro-2-pyridinyl)-2-phenylethanone?
1-(3-nitro-2-pyridinyl)-2-phenylethanone has a molecular weight of 242.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)-2-phenylethanone is sourced from PubChem (CID 19034910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).