3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine

C15H13ClN4O — CID 166334954

IUPAC3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine
SMILESCCOc1ccc(-n2cc(-c3cncc(Cl)c3)nn2)cc1
InChIInChI=1S/C15H13ClN4O/c1-2-21-14-5-3-13(4-6-14)20-10-15(18-19-20)11-7-12(16)9-17-8-11/h3-10H,2H2,1H3
InChIKeyDCRTYYUIVLUBQN-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine

3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine (PubChem CID 166334954) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine
PubChem CID166334954
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine
SMILESCCOc1ccc(-n2cc(-c3cncc(Cl)c3)nn2)cc1
InChIInChI=1S/C15H13ClN4O/c1-2-21-14-5-3-13(4-6-14)20-10-15(18-19-20)11-7-12(16)9-17-8-11/h3-10H,2H2,1H3
InChIKeyDCRTYYUIVLUBQN-UHFFFAOYSA-N
XLogP3.38
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine?
The IUPAC name of 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine (CID 166334954) is 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine?
The canonical SMILES for 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine is CCOc1ccc(-n2cc(-c3cncc(Cl)c3)nn2)cc1.
What is the InChIKey of 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine?
The InChIKey is DCRTYYUIVLUBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-21-14-5-3-13(4-6-14)20-10-15(18-19-20)11-7-12(16)9-17-8-11/h3-10H,2H2,1H3.
What are the key properties of 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine?
3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine has a molecular weight of 300.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-(4-ethoxyphenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 166334954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).