5-(4-aminophenyl)pyridine-3-carbaldehyde

C12H10N2O — CID 87406036

IUPAC5-(4-aminophenyl)pyridine-3-carbaldehyde
SMILESNc1ccc(-c2cncc(C=O)c2)cc1
InChIInChI=1S/C12H10N2O/c13-12-3-1-10(2-4-12)11-5-9(8-15)6-14-7-11/h1-8H,13H2
InChIKeyNFMHLFOJDHNCKV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.14
Rot. Bonds2

About 5-(4-aminophenyl)pyridine-3-carbaldehyde

5-(4-aminophenyl)pyridine-3-carbaldehyde (PubChem CID 87406036) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(4-aminophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-aminophenyl)pyridine-3-carbaldehyde
PubChem CID87406036
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name5-(4-aminophenyl)pyridine-3-carbaldehyde
SMILESNc1ccc(-c2cncc(C=O)c2)cc1
InChIInChI=1S/C12H10N2O/c13-12-3-1-10(2-4-12)11-5-9(8-15)6-14-7-11/h1-8H,13H2
InChIKeyNFMHLFOJDHNCKV-UHFFFAOYSA-N
XLogP2.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(4-aminophenyl)pyridine-3-carbaldehyde (CID 87406036) is 5-(4-aminophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(4-aminophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(4-aminophenyl)pyridine-3-carbaldehyde is Nc1ccc(-c2cncc(C=O)c2)cc1.
What is the InChIKey of 5-(4-aminophenyl)pyridine-3-carbaldehyde?
The InChIKey is NFMHLFOJDHNCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-12-3-1-10(2-4-12)11-5-9(8-15)6-14-7-11/h1-8H,13H2.
What are the key properties of 5-(4-aminophenyl)pyridine-3-carbaldehyde?
5-(4-aminophenyl)pyridine-3-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 87406036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).