2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde

C13H9ClFNO — CID 118111903

IUPAC2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde
SMILESO=CCc1ccc(-c2cncc(F)c2)cc1Cl
InChIInChI=1S/C13H9ClFNO/c14-13-6-10(2-1-9(13)3-4-17)11-5-12(15)8-16-7-11/h1-2,4-8H,3H2
InChIKeyKGOIWPHMXTYFGQ-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.28
Rot. Bonds3

About 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde

2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde (PubChem CID 118111903) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde
PubChem CID118111903
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde
SMILESO=CCc1ccc(-c2cncc(F)c2)cc1Cl
InChIInChI=1S/C13H9ClFNO/c14-13-6-10(2-1-9(13)3-4-17)11-5-12(15)8-16-7-11/h1-2,4-8H,3H2
InChIKeyKGOIWPHMXTYFGQ-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.28
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

2-chloro-4-(5-fluoro-3-pyridinyl)phenol
CID 83131119
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
2-[6-fluoro-3-(5-fluoro-3-pyridinyl)quinolin-2-yl]acetaldehyde
CID 87427464
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde
CID 133054290
2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
CID 141352961
6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 86670604
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
2-(3-fluoro-4-pyridinyl)acetaldehyde
CID 87110960
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786779
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde (CID 118111903) is 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde is O=CCc1ccc(-c2cncc(F)c2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde?
The InChIKey is KGOIWPHMXTYFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-13-6-10(2-1-9(13)3-4-17)11-5-12(15)8-16-7-11/h1-2,4-8H,3H2.
What are the key properties of 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde?
2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde has a molecular weight of 249.67 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(5-fluoro-3-pyridinyl)phenyl]acetaldehyde is sourced from PubChem (CID 118111903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).