6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde

C13H10N2O3 — CID 24730308

IUPAC6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c1-9-2-4-11(6-13(9)15(17)18)12-5-3-10(8-16)7-14-12/h2-8H,1H3
InChIKeyKRQSCGKATAYIFC-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.78
Rot. Bonds3

About 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde

6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde (PubChem CID 24730308) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde
PubChem CID24730308
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c1-9-2-4-11(6-13(9)15(17)18)12-5-3-10(8-16)7-14-12/h2-8H,1H3
InChIKeyKRQSCGKATAYIFC-UHFFFAOYSA-N
XLogP2.78
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde (CID 24730308) is 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde is Cc1ccc(-c2ccc(C=O)cn2)cc1[N+](=O)[O-].
What is the InChIKey of 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde?
The InChIKey is KRQSCGKATAYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-9-2-4-11(6-13(9)15(17)18)12-5-3-10(8-16)7-14-12/h2-8H,1H3.
What are the key properties of 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde?
6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde has a molecular weight of 242.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 24730308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).