5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde

C22H14N4O2 — CID 90656963

IUPAC5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)nc4)cn3)nc2)cn1
InChIInChI=1S/C22H14N4O2/c27-13-19-5-1-15(9-23-19)17-3-7-21(25-11-17)22-8-4-18(12-26-22)16-2-6-20(14-28)24-10-16/h1-14H
InChIKeyFIXATTVYTZLKKI-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.89
Rot. Bonds5

About 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde

5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde (PubChem CID 90656963) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde
PubChem CID90656963
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)nc4)cn3)nc2)cn1
InChIInChI=1S/C22H14N4O2/c27-13-19-5-1-15(9-23-19)17-3-7-21(25-11-17)22-8-4-18(12-26-22)16-2-6-20(14-28)24-10-16/h1-14H
InChIKeyFIXATTVYTZLKKI-UHFFFAOYSA-N
XLogP3.89
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
(2,2'-Bipyridine)-5,5'-dicarbaldehyde
CID 15547968
2,2'-Bipyridine-4-carboxaldehyde
CID 10171298
6-(Pyridin-2-yl)pyridine-3-carbaldehyde
CID 10866997
4-Phenylpyridine-2-carboxaldehyde
CID 12217654
2-(4-Methylpyridin-2-yl)pyridine-4-carbaldehyde
CID 11193972
5-Phenylpyridine-2-carbaldehyde
CID 26343603
1-(2-(1,1'-Biphenyl)-4-YL-2-oxoethyl)-2-(2-pyridinyl)pyridinium bromide
CID 45051121
N,N'-bis(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 4524554
N,N'-(Methylenedi-p-phenylene)bis(pyridine-2-carboxamide)
CID 53326928
[3-(Isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 118740162
Pyridine-2,6-diylbis(pyridin-2-ylmethanone)
CID 15387364

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde?
The IUPAC name of 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde (CID 90656963) is 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)nc4)cn3)nc2)cn1.
What is the InChIKey of 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde?
The InChIKey is FIXATTVYTZLKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-13-19-5-1-15(9-23-19)17-3-7-21(25-11-17)22-8-4-18(12-26-22)16-2-6-20(14-28)24-10-16/h1-14H.
What are the key properties of 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde?
5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde has a molecular weight of 366.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-(6-formyl-3-pyridinyl)-2-pyridinyl]-3-pyridinyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 90656963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).