2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde

C14H13ClN2O — CID 171115094

IUPAC2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde
SMILESO=CCN(Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H13ClN2O/c15-13-6-4-12(5-7-13)11-17(9-10-18)14-3-1-2-8-16-14/h1-8,10H,9,11H2
InChIKeyBIIAZUNKABXTMK-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.94
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde

2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde (PubChem CID 171115094) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde
PubChem CID171115094
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde
SMILESO=CCN(Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H13ClN2O/c15-13-6-4-12(5-7-13)11-17(9-10-18)14-3-1-2-8-16-14/h1-8,10H,9,11H2
InChIKeyBIIAZUNKABXTMK-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.94
H-Bond Donors ≤ 50
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-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde?
The IUPAC name of 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde (CID 171115094) is 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde is O=CCN(Cc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde?
The InChIKey is BIIAZUNKABXTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-13-6-4-12(5-7-13)11-17(9-10-18)14-3-1-2-8-16-14/h1-8,10H,9,11H2.
What are the key properties of 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde?
2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde has a molecular weight of 260.72 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]acetaldehyde is sourced from PubChem (CID 171115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).