4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol

C14H8Cl2N4O2 — CID 135437093

IUPAC4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)nn1
InChIInChI=1S/C14H8Cl2N4O2/c15-7-1-3-11(21)9(5-7)13-17-19-14(20-18-13)10-6-8(16)2-4-12(10)22/h1-6,21-22H
InChIKeyTWPCFULIQDPWLO-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.32
Rot. Bonds2

About 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol

4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol (PubChem CID 135437093) has the molecular formula C14H8Cl2N4O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
PubChem CID135437093
Molecular FormulaC14H8Cl2N4O2
Molecular Weight335.15 g/mol
Exact Mass334.00
IUPAC Name4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)nn1
InChIInChI=1S/C14H8Cl2N4O2/c15-7-1-3-11(21)9(5-7)13-17-19-14(20-18-13)10-6-8(16)2-4-12(10)22/h1-6,21-22H
InChIKeyTWPCFULIQDPWLO-UHFFFAOYSA-N
XLogP3.32
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol?
The IUPAC name of 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol (CID 135437093) is 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol is Oc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)nn1.
What is the InChIKey of 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol?
The InChIKey is TWPCFULIQDPWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4O2/c15-7-1-3-11(21)9(5-7)13-17-19-14(20-18-13)10-6-8(16)2-4-12(10)22/h1-6,21-22H.
What are the key properties of 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol?
4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol has a molecular weight of 335.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[6-(5-chloro-2-hydroxyphenyl)-1,2,4,5-tetrazin-3-yl]phenol is sourced from PubChem (CID 135437093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).