3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde

C12H7Cl2NO — CID 169447859

IUPAC3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2NO/c13-10-3-9(4-11(14)5-10)12-6-15-2-1-8(12)7-16/h1-7H
InChIKeyLFAWRGYNWGPNBX-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.87
Rot. Bonds2

About 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde

3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde (PubChem CID 169447859) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
PubChem CID169447859
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2NO/c13-10-3-9(4-11(14)5-10)12-6-15-2-1-8(12)7-16/h1-7H
InChIKeyLFAWRGYNWGPNBX-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.87
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

3-pyridin-4-ylpyridine-4-carbaldehyde
CID 46316056
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
3-(3,5-dichlorophenyl)-4-ethynylpyridine
CID 169447945
6-chloroisoquinoline-8-carbaldehyde
CID 164912789
3-(3,5-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133090689
5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
CID 133088128
4-(2,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134627378
3-(furan-2-yl)pyridine-4-carbaldehyde
CID 96630720
3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde
CID 96625117
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
2,5-dipyridin-4-ylpyridine-4-carbaldehyde
CID 131870499

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde (CID 169447859) is 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde is O=Cc1ccncc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde?
The InChIKey is LFAWRGYNWGPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-10-3-9(4-11(14)5-10)12-6-15-2-1-8(12)7-16/h1-7H.
What are the key properties of 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde?
3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde has a molecular weight of 252.10 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 169447859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).