2-chloro-6-ethenylpyridine-3-carbaldehyde

C8H6ClNO — CID 74890380

IUPAC2-chloro-6-ethenylpyridine-3-carbaldehyde
SMILESC=Cc1ccc(C=O)c(Cl)n1
InChIInChI=1S/C8H6ClNO/c1-2-7-4-3-6(5-11)8(9)10-7/h2-5H,1H2
InChIKeyBWKSUUXDWROFEO-UHFFFAOYSA-N
MW167.59 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-6-ethenylpyridine-3-carbaldehyde

2-chloro-6-ethenylpyridine-3-carbaldehyde (PubChem CID 74890380) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 2-chloro-6-ethenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-ethenylpyridine-3-carbaldehyde
PubChem CID74890380
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name2-chloro-6-ethenylpyridine-3-carbaldehyde
SMILESC=Cc1ccc(C=O)c(Cl)n1
InChIInChI=1S/C8H6ClNO/c1-2-7-4-3-6(5-11)8(9)10-7/h2-5H,1H2
InChIKeyBWKSUUXDWROFEO-UHFFFAOYSA-N
XLogP2.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 52.19
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

2-chloro-6-ethenyl-3-methylpyridine
CID 74888813
2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119015935
2-chloro-3-ethenyl-6-fluoropyridine
CID 74891734
2,6-dichloro-3-ethenylpyridine
CID 90062240
7-chloro-2-ethenyl-1,5-naphthyridine
CID 175287395
6-ethenylpyrido[2,3-b]pyrazine
CID 57416844
2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
CID 131471032
6-chloro-5-ethenylpyridine-3-carbaldehyde
CID 89205442
2-chloro-6-ethenyl-3-(3-propylimidazolidin-1-yl)pyridine
CID 174331975
6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637837
4-chloro-2-iodopyrimidine-5-carbaldehyde
CID 154968922
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethenylpyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-ethenylpyridine-3-carbaldehyde (CID 74890380) is 2-chloro-6-ethenylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-ethenylpyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-ethenylpyridine-3-carbaldehyde is C=Cc1ccc(C=O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-ethenylpyridine-3-carbaldehyde?
The InChIKey is BWKSUUXDWROFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-2-7-4-3-6(5-11)8(9)10-7/h2-5H,1H2.
What are the key properties of 2-chloro-6-ethenylpyridine-3-carbaldehyde?
2-chloro-6-ethenylpyridine-3-carbaldehyde has a molecular weight of 167.59 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethenylpyridine-3-carbaldehyde is sourced from PubChem (CID 74890380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).