4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

C14H11ClN4O — CID 67521731

IUPAC4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1Cl
InChIInChI=1S/C14H11ClN4O/c1-20-12-3-2-10(8-11(12)15)14-17-13(18-19-14)9-4-6-16-7-5-9/h2-8H,1H3,(H,17,18,19)
InChIKeyWJZCCMKZHSOFBR-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.20
Rot. Bonds3

About 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 67521731) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID67521731
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESCOc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1Cl
InChIInChI=1S/C14H11ClN4O/c1-20-12-3-2-10(8-11(12)15)14-17-13(18-19-14)9-4-6-16-7-5-9/h2-8H,1H3,(H,17,18,19)
InChIKeyWJZCCMKZHSOFBR-UHFFFAOYSA-N
XLogP3.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (CID 67521731) is 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is COc1ccc(-c2n[nH]c(-c3ccncc3)n2)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is WJZCCMKZHSOFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-20-12-3-2-10(8-11(12)15)14-17-13(18-19-14)9-4-6-16-7-5-9/h2-8H,1H3,(H,17,18,19).
What are the key properties of 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 286.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 67521731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).