2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde

C13H9Cl2NO2 — CID 140945172

IUPAC2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)c(OCc2ccccn2)cc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-11-6-13(12(15)5-9(11)7-17)18-8-10-3-1-2-4-16-10/h1-7H,8H2
InChIKeyFQVDGVKSUVCLPB-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.78
Rot. Bonds4

About 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde

2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde (PubChem CID 140945172) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde
PubChem CID140945172
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)c(OCc2ccccn2)cc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-11-6-13(12(15)5-9(11)7-17)18-8-10-3-1-2-4-16-10/h1-7H,8H2
InChIKeyFQVDGVKSUVCLPB-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.78
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

4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
CID 132587651
3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
CID 130196962
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
2-[(2-chloro-4-isothiocyanatophenoxy)methyl]pyridine
CID 141429916
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
2-[4-chloro-2-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 14624569
3-(aminomethyl)-6-chloro-7-(pyridin-2-ylmethoxy)-1H-quinolin-2-one
CID 129034649
(E)-3-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769761
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde?
The IUPAC name of 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde (CID 140945172) is 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde is O=Cc1cc(Cl)c(OCc2ccccn2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde?
The InChIKey is FQVDGVKSUVCLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-11-6-13(12(15)5-9(11)7-17)18-8-10-3-1-2-4-16-10/h1-7H,8H2.
What are the key properties of 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde?
2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde has a molecular weight of 282.13 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 140945172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).