2,6-dichloro-4-pyridin-2-ylbenzaldehyde

C12H7Cl2NO — CID 135290721

IUPAC2,6-dichloro-4-pyridin-2-ylbenzaldehyde
SMILESO=Cc1c(Cl)cc(-c2ccccn2)cc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-10-5-8(6-11(14)9(10)7-16)12-3-1-2-4-15-12/h1-7H
InChIKeyGXMHNARNRYPNCQ-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.87
Rot. Bonds2

About 2,6-dichloro-4-pyridin-2-ylbenzaldehyde

2,6-dichloro-4-pyridin-2-ylbenzaldehyde (PubChem CID 135290721) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 2,6-dichloro-4-pyridin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2,6-dichloro-4-pyridin-2-ylbenzaldehyde
PubChem CID135290721
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name2,6-dichloro-4-pyridin-2-ylbenzaldehyde
SMILESO=Cc1c(Cl)cc(-c2ccccn2)cc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-10-5-8(6-11(14)9(10)7-16)12-3-1-2-4-15-12/h1-7H
InChIKeyGXMHNARNRYPNCQ-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
formyl chloride;2-phenylpyridine
CID 175066008
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
CID 87124357
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
CID 4637543
2-fluoro-5-pyridin-2-ylbenzaldehyde
CID 63680969
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
CID 59800933
2-(3-bromo-4-chlorophenyl)pyridine
CID 122381935
2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde
CID 71446198
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-pyridin-2-ylbenzaldehyde?
The IUPAC name of 2,6-dichloro-4-pyridin-2-ylbenzaldehyde (CID 135290721) is 2,6-dichloro-4-pyridin-2-ylbenzaldehyde.
What is the SMILES notation for 2,6-dichloro-4-pyridin-2-ylbenzaldehyde?
The canonical SMILES for 2,6-dichloro-4-pyridin-2-ylbenzaldehyde is O=Cc1c(Cl)cc(-c2ccccn2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-pyridin-2-ylbenzaldehyde?
The InChIKey is GXMHNARNRYPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-10-5-8(6-11(14)9(10)7-16)12-3-1-2-4-15-12/h1-7H.
What are the key properties of 2,6-dichloro-4-pyridin-2-ylbenzaldehyde?
2,6-dichloro-4-pyridin-2-ylbenzaldehyde has a molecular weight of 252.10 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-pyridin-2-ylbenzaldehyde is sourced from PubChem (CID 135290721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).