3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde

C12H8N2O2 — CID 18316610

IUPAC3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1C(=O)c1ccncc1
InChIInChI=1S/C12H8N2O2/c15-8-10-3-6-14-7-11(10)12(16)9-1-4-13-5-2-9/h1-8H
InChIKeyCTMWFKNUCSIZRZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.52
Rot. Bonds3

About 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde

3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde (PubChem CID 18316610) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde
PubChem CID18316610
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1C(=O)c1ccncc1
InChIInChI=1S/C12H8N2O2/c15-8-10-3-6-14-7-11(10)12(16)9-1-4-13-5-2-9/h1-8H
InChIKeyCTMWFKNUCSIZRZ-UHFFFAOYSA-N
XLogP1.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732
3-pyridin-4-ylpyridine-4-carbaldehyde
CID 46316056
(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
CID 116548721
trifluoro-(4-formyl-3-pyridinyl)boranuide
CID 57416948
2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde
CID 139828079
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
3-benzoyl-N-phenylpyridine-4-carboxamide
CID 14761571
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
3-cyclopentylpyridine-4-carbaldehyde
CID 82411124
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone
CID 157331171

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde (CID 18316610) is 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde is O=Cc1ccncc1C(=O)c1ccncc1.
What is the InChIKey of 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde?
The InChIKey is CTMWFKNUCSIZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-8-10-3-6-14-7-11(10)12(16)9-1-4-13-5-2-9/h1-8H.
What are the key properties of 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde?
3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 18316610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).