4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine

C16H12Cl2N4O — CID 167169918

IUPAC4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
SMILESC=Cc1cnc(OC)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
InChIInChI=1S/C16H12Cl2N4O/c1-3-10-8-19-16(23-2)7-12(10)13-6-11(17)4-5-14(13)22-9-15(18)20-21-22/h3-9H,1H2,2H3
InChIKeyLGSDMGZYJVJQQB-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.29
Rot. Bonds4

About 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine

4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine (PubChem CID 167169918) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine.

Molecular Properties

Compound Name4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
PubChem CID167169918
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
SMILESC=Cc1cnc(OC)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
InChIInChI=1S/C16H12Cl2N4O/c1-3-10-8-19-16(23-2)7-12(10)13-6-11(17)4-5-14(13)22-9-15(18)20-21-22/h3-9H,1H2,2H3
InChIKeyLGSDMGZYJVJQQB-UHFFFAOYSA-N
XLogP4.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine?
The IUPAC name of 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine (CID 167169918) is 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine.
What is the SMILES notation for 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine?
The canonical SMILES for 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine is C=Cc1cnc(OC)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1.
What is the InChIKey of 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine?
The InChIKey is LGSDMGZYJVJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c1-3-10-8-19-16(23-2)7-12(10)13-6-11(17)4-5-14(13)22-9-15(18)20-21-22/h3-9H,1H2,2H3.
What are the key properties of 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine?
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine has a molecular weight of 347.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine is sourced from PubChem (CID 167169918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).