5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde

C12H3ClF5NO — CID 133093625

IUPAC5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Cl)cc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H3ClF5NO/c13-4-1-5(6(3-20)19-2-4)7-8(14)10(16)12(18)11(17)9(7)15/h1-3H
InChIKeyRPHBTMQQJRNIFQ-UHFFFAOYSA-N
MW307.61 g/mol
LogP3.91
Rot. Bonds2

About 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde

5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde (PubChem CID 133093625) has the molecular formula C12H3ClF5NO and a molecular weight of 307.61 g/mol. Its IUPAC name is 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
PubChem CID133093625
Molecular FormulaC12H3ClF5NO
Molecular Weight307.61 g/mol
Exact Mass306.98
IUPAC Name5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Cl)cc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H3ClF5NO/c13-4-1-5(6(3-20)19-2-4)7-8(14)10(16)12(18)11(17)9(7)15/h1-3H
InChIKeyRPHBTMQQJRNIFQ-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
CID 133088128
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093647
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
4-(5-chloro-3-fluoro-2-pyridinyl)but-3-enal
CID 170481595
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311
3,5-dipyridin-4-ylpyridine-2-carbaldehyde
CID 131869593
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 133093654
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde (CID 133093625) is 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde is O=Cc1ncc(Cl)cc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde?
The InChIKey is RPHBTMQQJRNIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3ClF5NO/c13-4-1-5(6(3-20)19-2-4)7-8(14)10(16)12(18)11(17)9(7)15/h1-3H.
What are the key properties of 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde?
5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde has a molecular weight of 307.61 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 133093625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).