4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol

C14H9F2N3O3 — CID 66921717

IUPAC4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol
SMILESOc1ccc(-n2nnc(O)c2-c2cccc(F)c2F)c(O)c1
InChIInChI=1S/C14H9F2N3O3/c15-9-3-1-2-8(12(9)16)13-14(22)17-18-19(13)10-5-4-7(20)6-11(10)21/h1-6,20-22H
InChIKeyBLJKSFXMWXEHAW-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.33
Rot. Bonds2

About 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol

4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol (PubChem CID 66921717) has the molecular formula C14H9F2N3O3 and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol
PubChem CID66921717
Molecular FormulaC14H9F2N3O3
Molecular Weight305.24 g/mol
Exact Mass305.06
IUPAC Name4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol
SMILESOc1ccc(-n2nnc(O)c2-c2cccc(F)c2F)c(O)c1
InChIInChI=1S/C14H9F2N3O3/c15-9-3-1-2-8(12(9)16)13-14(22)17-18-19(13)10-5-4-7(20)6-11(10)21/h1-6,20-22H
InChIKeyBLJKSFXMWXEHAW-UHFFFAOYSA-N
XLogP2.33
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol?
The IUPAC name of 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol (CID 66921717) is 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol?
The canonical SMILES for 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol is Oc1ccc(-n2nnc(O)c2-c2cccc(F)c2F)c(O)c1.
What is the InChIKey of 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol?
The InChIKey is BLJKSFXMWXEHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3/c15-9-3-1-2-8(12(9)16)13-14(22)17-18-19(13)10-5-4-7(20)6-11(10)21/h1-6,20-22H.
What are the key properties of 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol?
4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol has a molecular weight of 305.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol is sourced from PubChem (CID 66921717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).