4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde

C15H10ClN3O — CID 114689678

IUPAC4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C15H10ClN3O/c16-12-7-6-11(10-20)14(8-12)15-9-17-18-19(15)13-4-2-1-3-5-13/h1-10H
InChIKeyFJWHCUDGUVQNQR-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.40
Rot. Bonds3

About 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde

4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde (PubChem CID 114689678) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde
PubChem CID114689678
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1-c1cnnn1-c1ccccc1
InChIInChI=1S/C15H10ClN3O/c16-12-7-6-11(10-20)14(8-12)15-9-17-18-19(15)13-4-2-1-3-5-13/h1-10H
InChIKeyFJWHCUDGUVQNQR-UHFFFAOYSA-N
XLogP3.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-phenyltriazol-4-yl)benzoic acid
CID 107989897
4-chloro-2-(3-methyltriazol-4-yl)benzaldehyde
CID 114689657
4-chloro-3-(3-phenyltriazol-4-yl)benzoic acid
CID 107989896
3-chloro-4-(3-phenyltriazol-4-yl)benzoic acid
CID 114689478
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
5-(3-chloro-2,6-difluorophenyl)-1-phenyltriazole
CID 134343051
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
CID 107616039
1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809
2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine
CID 102752773
[2-[4-[5-(2,5-dichlorophenyl)triazol-1-yl]phenyl]-2-oxoethyl] 2-fluorobenzoate
CID 47093612
[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde (CID 114689678) is 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde is O=Cc1ccc(Cl)cc1-c1cnnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde?
The InChIKey is FJWHCUDGUVQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-12-7-6-11(10-20)14(8-12)15-9-17-18-19(15)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde?
4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde has a molecular weight of 283.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde is sourced from PubChem (CID 114689678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).