2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde

C12H6ClF2NO — CID 172868911

IUPAC2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2cccc(Cl)c2F)ncc1F
InChIInChI=1S/C12H6ClF2NO/c13-9-3-1-2-8(12(9)15)11-4-7(6-17)10(14)5-16-11/h1-6H
InChIKeyDLRQXJKLPWZWAK-UHFFFAOYSA-N
MW253.64 g/mol
LogP3.49
Rot. Bonds2

About 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde

2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde (PubChem CID 172868911) has the molecular formula C12H6ClF2NO and a molecular weight of 253.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
PubChem CID172868911
Molecular FormulaC12H6ClF2NO
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2cccc(Cl)c2F)ncc1F
InChIInChI=1S/C12H6ClF2NO/c13-9-3-1-2-8(12(9)15)11-4-7(6-17)10(14)5-16-11/h1-6H
InChIKeyDLRQXJKLPWZWAK-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 53.49
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-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde (CID 172868911) is 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde is O=Cc1cc(-c2cccc(Cl)c2F)ncc1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde?
The InChIKey is DLRQXJKLPWZWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO/c13-9-3-1-2-8(12(9)15)11-4-7(6-17)10(14)5-16-11/h1-6H.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde?
2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde has a molecular weight of 253.64 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 172868911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).