3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine

C19H11Cl3N4O — CID 86345504

IUPAC3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine
SMILESClc1ccc(Cl)c(Oc2ccncc2-n2nncc2-c2ccccc2Cl)c1
InChIInChI=1S/C19H11Cl3N4O/c20-12-5-6-15(22)19(9-12)27-18-7-8-23-10-17(18)26-16(11-24-25-26)13-3-1-2-4-14(13)21/h1-11H
InChIKeyQSKRCFVQTARFQU-UHFFFAOYSA-N
MW417.68 g/mol
LogP6.08
Rot. Bonds4

About 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine

3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine (PubChem CID 86345504) has the molecular formula C19H11Cl3N4O and a molecular weight of 417.68 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine
PubChem CID86345504
Molecular FormulaC19H11Cl3N4O
Molecular Weight417.68 g/mol
Exact Mass416.00
IUPAC Name3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine
SMILESClc1ccc(Cl)c(Oc2ccncc2-n2nncc2-c2ccccc2Cl)c1
InChIInChI=1S/C19H11Cl3N4O/c20-12-5-6-15(22)19(9-12)27-18-7-8-23-10-17(18)26-16(11-24-25-26)13-3-1-2-4-14(13)21/h1-11H
InChIKeyQSKRCFVQTARFQU-UHFFFAOYSA-N
XLogP6.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine?
The IUPAC name of 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine (CID 86345504) is 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine?
The canonical SMILES for 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine is Clc1ccc(Cl)c(Oc2ccncc2-n2nncc2-c2ccccc2Cl)c1.
What is the InChIKey of 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine?
The InChIKey is QSKRCFVQTARFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N4O/c20-12-5-6-15(22)19(9-12)27-18-7-8-23-10-17(18)26-16(11-24-25-26)13-3-1-2-4-14(13)21/h1-11H.
What are the key properties of 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine?
3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine has a molecular weight of 417.68 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine is sourced from PubChem (CID 86345504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).