3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde

C12H5Cl4NO — CID 134635841

IUPAC3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO/c13-9-2-1-6(11(15)12(9)16)7-3-17-4-10(14)8(7)5-18/h1-5H
InChIKeyTZTBQUBUHUQZEI-UHFFFAOYSA-N
MW320.99 g/mol
LogP5.17
Rot. Bonds2

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

3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 134635841) has the molecular formula C12H5Cl4NO and a molecular weight of 320.99 g/mol. Its IUPAC name is 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
PubChem CID134635841
Molecular FormulaC12H5Cl4NO
Molecular Weight320.99 g/mol
Exact Mass318.91
IUPAC Name3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO/c13-9-2-1-6(11(15)12(9)16)7-3-17-4-10(14)8(7)5-18/h1-5H
InChIKeyTZTBQUBUHUQZEI-UHFFFAOYSA-N
XLogP5.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.99
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloropyridine-4-carbaldehyde
CID 2762988
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
3-(2,4-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133090824
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311
3-chloro-5-fluoro-4-(2,3,4-trichlorophenyl)pyridine
CID 133090143
4-iodo-3-(2,3,4-trichlorophenyl)pyridine
CID 134636344
3-chloro-5-ethylpyridine-4-carbaldehyde
CID 170993145
3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde
CID 10490873
5-(2,3,4-trichlorophenyl)furan-2-carbaldehyde
CID 169332109
2,6-dichloro-3-(2,3,4-trichlorophenyl)pyridine
CID 118997066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde (CID 134635841) is 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde is O=Cc1c(Cl)cncc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is TZTBQUBUHUQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO/c13-9-2-1-6(11(15)12(9)16)7-3-17-4-10(14)8(7)5-18/h1-5H.
What are the key properties of 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde?
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde has a molecular weight of 320.99 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 134635841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).