3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde

C14H12FNO2 — CID 107689567

IUPAC3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCc2cccnc2)c(F)c1
InChIInChI=1S/C14H12FNO2/c15-13-8-12(10-17)3-4-14(13)18-7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2
InChIKeyDWYCPGMIGQWSBC-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.65
Rot. Bonds5

About 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde

3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde (PubChem CID 107689567) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
PubChem CID107689567
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCc2cccnc2)c(F)c1
InChIInChI=1S/C14H12FNO2/c15-13-8-12(10-17)3-4-14(13)18-7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2
InChIKeyDWYCPGMIGQWSBC-UHFFFAOYSA-N
XLogP2.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.65
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

5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
(E)-3-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 107692327
[4-fluoro-3-(2-pyridin-3-ylethoxy)phenyl]boronic acid
CID 114674747
1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 56782083
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde (CID 107689567) is 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde is O=Cc1ccc(OCCc2cccnc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde?
The InChIKey is DWYCPGMIGQWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-13-8-12(10-17)3-4-14(13)18-7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2.
What are the key properties of 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde?
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde has a molecular weight of 245.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde is sourced from PubChem (CID 107689567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).