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

C12H6ClF2NO — CID 133093654

IUPAC5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO/c13-8-4-7(6-17)12(16-5-8)9-2-1-3-10(14)11(9)15/h1-6H
InChIKeyYYZMKBMBXPJNSC-UHFFFAOYSA-N
MW253.64 g/mol
LogP3.49
Rot. Bonds2

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

5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde (PubChem CID 133093654) has the molecular formula C12H6ClF2NO and a molecular weight of 253.64 g/mol. Its IUPAC name is 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
PubChem CID133093654
Molecular FormulaC12H6ClF2NO
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO/c13-8-4-7(6-17)12(16-5-8)9-2-1-3-10(14)11(9)15/h1-6H
InChIKeyYYZMKBMBXPJNSC-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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Related Compounds

5-chloro-2,3-bis(2,3-difluorophenyl)pyridine
CID 133087890
5-(2,3-difluorophenyl)-2-fluorobenzaldehyde
CID 63988586
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 172868911
3-chloro-2-(2,3-difluorophenyl)-5-methoxypyridine
CID 133088408
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
CID 118841863
3-(2,3-difluorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 115925296
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
5-bromo-1-(3-chlorophenyl)-3-(2,3-difluorophenyl)pyrazole-4-carbaldehyde
CID 87406684
3,5-bis(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093641
[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol
CID 133086714

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde (CID 133093654) is 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde is O=Cc1cc(Cl)cnc1-c1cccc(F)c1F.
What is the InChIKey of 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is YYZMKBMBXPJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO/c13-8-4-7(6-17)12(16-5-8)9-2-1-3-10(14)11(9)15/h1-6H.
What are the key properties of 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
5-chloro-2-(2,3-difluorophenyl)pyridine-3-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 5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 133093654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).