2-chloro-5-fluoropyridine-4-carbaldehyde

C6H3ClFNO — CID 44754755

IUPAC2-chloro-5-fluoropyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)ncc1F
InChIInChI=1S/C6H3ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
InChIKeySUXQRZZPWPDIIN-UHFFFAOYSA-N
MW159.55 g/mol
LogP1.69
Rot. Bonds1

About 2-chloro-5-fluoropyridine-4-carbaldehyde

2-chloro-5-fluoropyridine-4-carbaldehyde (PubChem CID 44754755) has the molecular formula C6H3ClFNO and a molecular weight of 159.55 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-fluoropyridine-4-carbaldehyde
PubChem CID44754755
Molecular FormulaC6H3ClFNO
Molecular Weight159.55 g/mol
Exact Mass158.99
IUPAC Name2-chloro-5-fluoropyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)ncc1F
InChIInChI=1S/C6H3ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
InChIKeySUXQRZZPWPDIIN-UHFFFAOYSA-N
XLogP1.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.55
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-5-fluoropyridine-4-carbaldehyde (CID 44754755) is 2-chloro-5-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-fluoropyridine-4-carbaldehyde is O=Cc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoropyridine-4-carbaldehyde?
The InChIKey is SUXQRZZPWPDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H.
What are the key properties of 2-chloro-5-fluoropyridine-4-carbaldehyde?
2-chloro-5-fluoropyridine-4-carbaldehyde has a molecular weight of 159.55 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 44754755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).