3-[3-(4-chlorophenyl)triazol-4-yl]pyridine

C13H9ClN4 — CID 3066642

IUPAC3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
SMILESClc1ccc(-n2nncc2-c2cccnc2)cc1
InChIInChI=1S/C13H9ClN4/c14-11-3-5-12(6-4-11)18-13(9-16-17-18)10-2-1-7-15-8-10/h1-9H
InChIKeyVWVOOTWFRFMDJT-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine

3-[3-(4-chlorophenyl)triazol-4-yl]pyridine (PubChem CID 3066642) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
PubChem CID3066642
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name3-[3-(4-chlorophenyl)triazol-4-yl]pyridine
SMILESClc1ccc(-n2nncc2-c2cccnc2)cc1
InChIInChI=1S/C13H9ClN4/c14-11-3-5-12(6-4-11)18-13(9-16-17-18)10-2-1-7-15-8-10/h1-9H
InChIKeyVWVOOTWFRFMDJT-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine?
The IUPAC name of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine (CID 3066642) is 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine?
The canonical SMILES for 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is Clc1ccc(-n2nncc2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine?
The InChIKey is VWVOOTWFRFMDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-11-3-5-12(6-4-11)18-13(9-16-17-18)10-2-1-7-15-8-10/h1-9H.
What are the key properties of 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine?
3-[3-(4-chlorophenyl)triazol-4-yl]pyridine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 3066642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).