2-anilinopyridine-4-carbaldehyde

C12H10N2O — CID 115021384

IUPAC2-anilinopyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C12H10N2O/c15-9-10-6-7-13-12(8-10)14-11-4-2-1-3-5-11/h1-9H,(H,13,14)
InChIKeyAXULBLDMEHPQEB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.64
Rot. Bonds3

About 2-anilinopyridine-4-carbaldehyde

2-anilinopyridine-4-carbaldehyde (PubChem CID 115021384) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-anilinopyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-anilinopyridine-4-carbaldehyde
PubChem CID115021384
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-anilinopyridine-4-carbaldehyde
SMILESO=Cc1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C12H10N2O/c15-9-10-6-7-13-12(8-10)14-11-4-2-1-3-5-11/h1-9H,(H,13,14)
InChIKeyAXULBLDMEHPQEB-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilinopyridine-4-carbaldehyde?
The IUPAC name of 2-anilinopyridine-4-carbaldehyde (CID 115021384) is 2-anilinopyridine-4-carbaldehyde.
What is the SMILES notation for 2-anilinopyridine-4-carbaldehyde?
The canonical SMILES for 2-anilinopyridine-4-carbaldehyde is O=Cc1ccnc(Nc2ccccc2)c1.
What is the InChIKey of 2-anilinopyridine-4-carbaldehyde?
The InChIKey is AXULBLDMEHPQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-9-10-6-7-13-12(8-10)14-11-4-2-1-3-5-11/h1-9H,(H,13,14).
What are the key properties of 2-anilinopyridine-4-carbaldehyde?
2-anilinopyridine-4-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinopyridine-4-carbaldehyde is sourced from PubChem (CID 115021384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).