2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde

C12H10N2O — CID 142200522

IUPAC2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1-c1ccccn1
InChIInChI=1S/C12H10N2O/c15-9-6-10-4-3-8-14-12(10)11-5-1-2-7-13-11/h1-5,7-9H,6H2
InChIKeyKWEKQCZCYOOLHS-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.88
Rot. Bonds3

About 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde

2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde (PubChem CID 142200522) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde
PubChem CID142200522
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1-c1ccccn1
InChIInChI=1S/C12H10N2O/c15-9-6-10-4-3-8-14-12(10)11-5-1-2-7-13-11/h1-5,7-9H,6H2
InChIKeyKWEKQCZCYOOLHS-UHFFFAOYSA-N
XLogP1.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enyl-2-pyridin-2-ylpyridine
CID 66633912
phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine
CID 175044718
2-(2-phenyl-3-pyridinyl)acetaldehyde
CID 159707557
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde
CID 121213765
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
2-(2-bromo-3-pyridinyl)acetaldehyde
CID 58138967
tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
CID 45254856
3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine
CID 141442661
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
2-(2-anilino-3-pyridinyl)acetaldehyde
CID 87549349
2,3-dipyridin-2-ylpyridine;platinum
CID 87064106

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde (CID 142200522) is 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde is O=CCc1cccnc1-c1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde?
The InChIKey is KWEKQCZCYOOLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-9-6-10-4-3-8-14-12(10)11-5-1-2-7-13-11/h1-5,7-9H,6H2.
What are the key properties of 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde?
2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde has a molecular weight of 198.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 142200522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).