2-(3-nitrophenyl)pyridine-3-carbaldehyde

C12H8N2O3 — CID 2764566

IUPAC2-(3-nitrophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O3/c15-8-10-4-2-6-13-12(10)9-3-1-5-11(7-9)14(16)17/h1-8H
InChIKeyCKHJMVUGYKMMKW-UHFFFAOYSA-N
MW228.21 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-nitrophenyl)pyridine-3-carbaldehyde

2-(3-nitrophenyl)pyridine-3-carbaldehyde (PubChem CID 2764566) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(3-nitrophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-nitrophenyl)pyridine-3-carbaldehyde
PubChem CID2764566
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name2-(3-nitrophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O3/c15-8-10-4-2-6-13-12(10)9-3-1-5-11(7-9)14(16)17/h1-8H
InChIKeyCKHJMVUGYKMMKW-UHFFFAOYSA-N
XLogP2.47
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
2-[3-(bromomethyl)phenyl]pyridine-3-carbaldehyde
CID 82378817
3-(3-nitrophenyl)-1H-pyrazine-2-thione
CID 106515750
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
formic acid;1-nitro-3-phenylbenzene
CID 158057338
3-bromo-4-(3-nitrophenyl)-1,2,5-thiadiazole
CID 10755596
3-(3-chlorophenyl)-2-methoxybenzaldehyde;2-methoxy-3-(3-nitrophenyl)benzaldehyde
CID 157332419
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
5-(3-nitrophenyl)-1H-indole-3-carbaldehyde
CID 23005016
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-nitrophenyl)pyridine-3-carbaldehyde (CID 2764566) is 2-(3-nitrophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-nitrophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-nitrophenyl)pyridine-3-carbaldehyde is O=Cc1cccnc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenyl)pyridine-3-carbaldehyde?
The InChIKey is CKHJMVUGYKMMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-8-10-4-2-6-13-12(10)9-3-1-5-11(7-9)14(16)17/h1-8H.
What are the key properties of 2-(3-nitrophenyl)pyridine-3-carbaldehyde?
2-(3-nitrophenyl)pyridine-3-carbaldehyde has a molecular weight of 228.21 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 2764566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).