2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine

C13H7Cl3N4 — CID 102752773

IUPAC2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine
SMILESClc1cc(Cl)c(-c2cnnn2-c2ccccc2)nc1Cl
InChIInChI=1S/C13H7Cl3N4/c14-9-6-10(15)13(16)18-12(9)11-7-17-19-20(11)8-4-2-1-3-5-8/h1-7H
InChIKeyIADGQFOXMFEKLF-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.29
Rot. Bonds2

About 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine

2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine (PubChem CID 102752773) has the molecular formula C13H7Cl3N4 and a molecular weight of 325.59 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine
PubChem CID102752773
Molecular FormulaC13H7Cl3N4
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine
SMILESClc1cc(Cl)c(-c2cnnn2-c2ccccc2)nc1Cl
InChIInChI=1S/C13H7Cl3N4/c14-9-6-10(15)13(16)18-12(9)11-7-17-19-20(11)8-4-2-1-3-5-8/h1-7H
InChIKeyIADGQFOXMFEKLF-UHFFFAOYSA-N
XLogP4.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(3-phenyltriazol-4-yl)benzoic acid
CID 114689478
4-chloro-3-(3-phenyltriazol-4-yl)benzoic acid
CID 107989896
5-(3-chloro-2,6-difluorophenyl)-1-phenyltriazole
CID 134343051
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524
1-[2-chloro-4-(3-phenyltriazol-4-yl)phenyl]ethanone
CID 114689684
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 106878720
4-chloro-2-(3-phenyltriazol-4-yl)benzoic acid
CID 107989897
4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde
CID 114689678
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
5-nitro-6-(3-phenyltriazol-4-yl)pyridin-2-amine
CID 114691050

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine (CID 102752773) is 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine is Clc1cc(Cl)c(-c2cnnn2-c2ccccc2)nc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine?
The InChIKey is IADGQFOXMFEKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4/c14-9-6-10(15)13(16)18-12(9)11-7-17-19-20(11)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine?
2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine has a molecular weight of 325.59 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(3-phenyltriazol-4-yl)pyridine is sourced from PubChem (CID 102752773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).