6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde

C12H6ClF2NO — CID 133093663

IUPAC6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)c(Cl)n1
InChIInChI=1S/C12H6ClF2NO/c13-12-9(5-4-7(6-17)16-12)8-2-1-3-10(14)11(8)15/h1-6H
InChIKeyZUSIZIYOTVOMTF-UHFFFAOYSA-N
MW253.64 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde

6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde (PubChem CID 133093663) has the molecular formula C12H6ClF2NO and a molecular weight of 253.64 g/mol. Its IUPAC name is 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde
PubChem CID133093663
Molecular FormulaC12H6ClF2NO
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)c(Cl)n1
InChIInChI=1S/C12H6ClF2NO/c13-12-9(5-4-7(6-17)16-12)8-2-1-3-10(14)11(8)15/h1-6H
InChIKeyZUSIZIYOTVOMTF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637837
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093641
6-chloro-5-(3,4,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636048
3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde
CID 133093667
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 133091494
5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 133093654
7-chloro-6-fluoroquinoline-2-carbaldehyde
CID 23359173
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 119009735

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde (CID 133093663) is 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde is O=Cc1ccc(-c2cccc(F)c2F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde?
The InChIKey is ZUSIZIYOTVOMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO/c13-12-9(5-4-7(6-17)16-12)8-2-1-3-10(14)11(8)15/h1-6H.
What are the key properties of 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde?
6-chloro-5-(2,3-difluorophenyl)pyridine-2-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 6-chloro-5-(2,3-difluorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 133093663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).