2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde

C7H5ClFNO — CID 133054290

IUPAC2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde
SMILESO=CCc1ncc(F)cc1Cl
InChIInChI=1S/C7H5ClFNO/c8-6-3-5(9)4-10-7(6)1-2-11/h2-4H,1H2
InChIKeyLWJSTTZYXBMOHC-UHFFFAOYSA-N
MW173.57 g/mol
LogP1.62
Rot. Bonds2

About 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde

2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde (PubChem CID 133054290) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde
PubChem CID133054290
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde
SMILESO=CCc1ncc(F)cc1Cl
InChIInChI=1S/C7H5ClFNO/c8-6-3-5(9)4-10-7(6)1-2-11/h2-4H,1H2
InChIKeyLWJSTTZYXBMOHC-UHFFFAOYSA-N
XLogP1.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde?
The IUPAC name of 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde (CID 133054290) is 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde is O=CCc1ncc(F)cc1Cl.
What is the InChIKey of 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde?
The InChIKey is LWJSTTZYXBMOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-6-3-5(9)4-10-7(6)1-2-11/h2-4H,1H2.
What are the key properties of 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde?
2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde has a molecular weight of 173.57 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde is sourced from PubChem (CID 133054290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).