5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde

C14H12ClNO2 — CID 63262865

IUPAC5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCCc1cccnc1
InChIInChI=1S/C14H12ClNO2/c15-13-3-4-14(12(8-13)10-17)18-7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2
InChIKeyLMVKIYIHBGOLGV-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.17
Rot. Bonds5

About 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde

5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde (PubChem CID 63262865) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
PubChem CID63262865
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OCCc1cccnc1
InChIInChI=1S/C14H12ClNO2/c15-13-3-4-14(12(8-13)10-17)18-7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2
InChIKeyLMVKIYIHBGOLGV-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.17
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-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
CID 114674747
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870
3-bromo-5-methylsulfanyl-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 86623231

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde?
The IUPAC name of 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde (CID 63262865) is 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde is O=Cc1cc(Cl)ccc1OCCc1cccnc1.
What is the InChIKey of 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde?
The InChIKey is LMVKIYIHBGOLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-13-3-4-14(12(8-13)10-17)18-7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2.
What are the key properties of 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde?
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde has a molecular weight of 261.71 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde is sourced from PubChem (CID 63262865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).