6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde

C20H14N2O2 — CID 139382361

IUPAC6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2ccc(Oc3ccc(C4C=N4)cc3)cc2)n1
InChIInChI=1S/C20H14N2O2/c23-13-16-2-1-3-19(22-16)14-4-8-17(9-5-14)24-18-10-6-15(7-11-18)20-12-21-20/h1-13,20H
InChIKeyYXAGWVNKXKOIJG-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.48
Rot. Bonds5

About 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde

6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde (PubChem CID 139382361) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde
PubChem CID139382361
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2ccc(Oc3ccc(C4C=N4)cc3)cc2)n1
InChIInChI=1S/C20H14N2O2/c23-13-16-2-1-3-19(22-16)14-4-8-17(9-5-14)24-18-10-6-15(7-11-18)20-12-21-20/h1-13,20H
InChIKeyYXAGWVNKXKOIJG-UHFFFAOYSA-N
XLogP4.48
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.48
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

6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
6-(1H-pyrazol-4-yl)pyridine-2-carbaldehyde
CID 165129883
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
2-[4-(4-fluorophenoxy)phenyl]-6-[(sulfinoamino)methyl]pyridine
CID 118862523
2-(4-methoxyphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 132557255
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636818
6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
CID 59501986
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
39,40,45,46-tetrazanonacyclo[32.2.2.22,5.216,19.220,23.16,10.111,15.124,28.129,33]octatetraconta-1(36),2(48),3,5(47),6(46),7,9,11,13,15(45),16(44),17,19(43),20,22,24(40),25,27,29,31,33(39),34,37,41-tetracosaene
CID 153310633
6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
CID 118413934

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde (CID 139382361) is 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde is O=Cc1cccc(-c2ccc(Oc3ccc(C4C=N4)cc3)cc2)n1.
What is the InChIKey of 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde?
The InChIKey is YXAGWVNKXKOIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-13-16-2-1-3-19(22-16)14-4-8-17(9-5-14)24-18-10-6-15(7-11-18)20-12-21-20/h1-13,20H.
What are the key properties of 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde?
6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde has a molecular weight of 314.34 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2H-azirin-2-yl)phenoxy]phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 139382361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).