2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde

C17H13ClN2O — CID 129163278

IUPAC2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(C3CC=CC=N3)n2)cc1Cl
InChIInChI=1S/C17H13ClN2O/c18-14-10-12(7-8-13(14)11-21)15-5-3-6-17(20-15)16-4-1-2-9-19-16/h1-3,5-11,16H,4H2
InChIKeyVRIRIUXMOHWNJH-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.29
Rot. Bonds3

About 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde

2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde (PubChem CID 129163278) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde
PubChem CID129163278
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(C3CC=CC=N3)n2)cc1Cl
InChIInChI=1S/C17H13ClN2O/c18-14-10-12(7-8-13(14)11-21)15-5-3-6-17(20-15)16-4-1-2-9-19-16/h1-3,5-11,16H,4H2
InChIKeyVRIRIUXMOHWNJH-UHFFFAOYSA-N
XLogP4.29
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.29
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-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde?
The IUPAC name of 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde (CID 129163278) is 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde?
The canonical SMILES for 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde is O=Cc1ccc(-c2cccc(C3CC=CC=N3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde?
The InChIKey is VRIRIUXMOHWNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-14-10-12(7-8-13(14)11-21)15-5-3-6-17(20-15)16-4-1-2-9-19-16/h1-3,5-11,16H,4H2.
What are the key properties of 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde?
2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde has a molecular weight of 296.76 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 129163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).