2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde

C11H10ClN3O2 — CID 142690785

IUPAC2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
SMILESO=Cc1cc(-n2cc(CCO)nn2)ccc1Cl
InChIInChI=1S/C11H10ClN3O2/c12-11-2-1-10(5-8(11)7-17)15-6-9(3-4-16)13-14-15/h1-2,5-7,16H,3-4H2
InChIKeyUZMWBIFLPWVESU-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.27
Rot. Bonds4

About 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde

2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde (PubChem CID 142690785) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
PubChem CID142690785
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
SMILESO=Cc1cc(-n2cc(CCO)nn2)ccc1Cl
InChIInChI=1S/C11H10ClN3O2/c12-11-2-1-10(5-8(11)7-17)15-6-9(3-4-16)13-14-15/h1-2,5-7,16H,3-4H2
InChIKeyUZMWBIFLPWVESU-UHFFFAOYSA-N
XLogP1.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-4-[4-(2-hydroxyethyl)triazol-1-yl]benzoate
CID 121399275
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
4-(2-chloroethyl)-1-(4-chloro-3-nitrophenyl)triazole
CID 62401160
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
[1-(3,4-dichlorophenyl)triazol-4-yl]methanesulfonic acid
CID 146424923
2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
CID 107806561
2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
CID 62401649
3-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]propanoic acid
CID 107613372
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
1-hydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]-2,3-dihydroindole-2-carboxylic acid
CID 175275968
3-[1-(3-chloro-4-nitrophenyl)triazol-4-yl]propanoic acid
CID 107460537

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde?
The IUPAC name of 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde (CID 142690785) is 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde.
What is the SMILES notation for 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde?
The canonical SMILES for 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde is O=Cc1cc(-n2cc(CCO)nn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde?
The InChIKey is UZMWBIFLPWVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-11-2-1-10(5-8(11)7-17)15-6-9(3-4-16)13-14-15/h1-2,5-7,16H,3-4H2.
What are the key properties of 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde?
2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde has a molecular weight of 251.67 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde is sourced from PubChem (CID 142690785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).