2-(pyridin-3-ylamino)benzaldehyde

C12H10N2O — CID 125483915

IUPAC2-(pyridin-3-ylamino)benzaldehyde
SMILESO=Cc1ccccc1Nc1cccnc1
InChIInChI=1S/C12H10N2O/c15-9-10-4-1-2-6-12(10)14-11-5-3-7-13-8-11/h1-9,14H
InChIKeyANFXVJHGIFHFFB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.64
Rot. Bonds3

About 2-(pyridin-3-ylamino)benzaldehyde

2-(pyridin-3-ylamino)benzaldehyde (PubChem CID 125483915) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(pyridin-3-ylamino)benzaldehyde.

Molecular Properties

Compound Name2-(pyridin-3-ylamino)benzaldehyde
PubChem CID125483915
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(pyridin-3-ylamino)benzaldehyde
SMILESO=Cc1ccccc1Nc1cccnc1
InChIInChI=1S/C12H10N2O/c15-9-10-4-1-2-6-12(10)14-11-5-3-7-13-8-11/h1-9,14H
InChIKeyANFXVJHGIFHFFB-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-(pyridin-3-ylamino)benzaldehyde?
The IUPAC name of 2-(pyridin-3-ylamino)benzaldehyde (CID 125483915) is 2-(pyridin-3-ylamino)benzaldehyde.
What is the SMILES notation for 2-(pyridin-3-ylamino)benzaldehyde?
The canonical SMILES for 2-(pyridin-3-ylamino)benzaldehyde is O=Cc1ccccc1Nc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylamino)benzaldehyde?
The InChIKey is ANFXVJHGIFHFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-9-10-4-1-2-6-12(10)14-11-5-3-7-13-8-11/h1-9,14H.
What are the key properties of 2-(pyridin-3-ylamino)benzaldehyde?
2-(pyridin-3-ylamino)benzaldehyde 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-(pyridin-3-ylamino)benzaldehyde is sourced from PubChem (CID 125483915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).