5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde

C12H6Cl2FNO — CID 133091105

IUPAC5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C12H6Cl2FNO/c13-9-3-1-2-8(12(9)14)7-4-10(15)11(6-17)16-5-7/h1-6H
InChIKeySRDVHDIPLAWUTK-UHFFFAOYSA-N
MW270.09 g/mol
LogP4.01
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde

5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde (PubChem CID 133091105) has the molecular formula C12H6Cl2FNO and a molecular weight of 270.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
PubChem CID133091105
Molecular FormulaC12H6Cl2FNO
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C12H6Cl2FNO/c13-9-3-1-2-8(12(9)14)7-4-10(15)11(6-17)16-5-7/h1-6H
InChIKeySRDVHDIPLAWUTK-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 54.01
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-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
CID 130088699
5-(2,3-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133091081
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
3-(2,3-dichlorophenyl)quinoline
CID 175328556
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
CID 118841863
5-(2,3-dichlorophenyl)pyrimidin-2-amine
CID 79022346
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311
3,5-bis(2,3-dichlorophenyl)pyridine-2-carbonitrile
CID 133095162
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde?
The IUPAC name of 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde (CID 133091105) is 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde is O=Cc1ncc(-c2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde?
The InChIKey is SRDVHDIPLAWUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO/c13-9-3-1-2-8(12(9)14)7-4-10(15)11(6-17)16-5-7/h1-6H.
What are the key properties of 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde?
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde has a molecular weight of 270.09 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 133091105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).