3-(2-aminophenyl)pyridine-2-carbaldehyde

C12H10N2O — CID 87624659

IUPAC3-(2-aminophenyl)pyridine-2-carbaldehyde
SMILESNc1ccccc1-c1cccnc1C=O
InChIInChI=1S/C12H10N2O/c13-11-6-2-1-4-9(11)10-5-3-7-14-12(10)8-15/h1-8H,13H2
InChIKeyUPOMMWMMOAIELW-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.14
Rot. Bonds2

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

3-(2-aminophenyl)pyridine-2-carbaldehyde (PubChem CID 87624659) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2-aminophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-aminophenyl)pyridine-2-carbaldehyde
PubChem CID87624659
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-(2-aminophenyl)pyridine-2-carbaldehyde
SMILESNc1ccccc1-c1cccnc1C=O
InChIInChI=1S/C12H10N2O/c13-11-6-2-1-4-9(11)10-5-3-7-14-12(10)8-15/h1-8H,13H2
InChIKeyUPOMMWMMOAIELW-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 3-(2-aminophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(2-aminophenyl)pyridine-2-carbaldehyde (CID 87624659) is 3-(2-aminophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(2-aminophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(2-aminophenyl)pyridine-2-carbaldehyde is Nc1ccccc1-c1cccnc1C=O.
What is the InChIKey of 3-(2-aminophenyl)pyridine-2-carbaldehyde?
The InChIKey is UPOMMWMMOAIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c13-11-6-2-1-4-9(11)10-5-3-7-14-12(10)8-15/h1-8H,13H2.
What are the key properties of 3-(2-aminophenyl)pyridine-2-carbaldehyde?
3-(2-aminophenyl)pyridine-2-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 3-(2-aminophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 87624659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).