2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol

C12H7F3N4O2 — CID 138379283

IUPAC2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol
SMILESOc1ccc(OC(F)(F)F)cc1-c1cccc2nnnn12
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)21-7-4-5-10(20)8(6-7)9-2-1-3-11-16-17-18-19(9)11/h1-6,20H
InChIKeyDOQCKJGSRDNGCP-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.40
Rot. Bonds2

About 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol

2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol (PubChem CID 138379283) has the molecular formula C12H7F3N4O2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol
PubChem CID138379283
Molecular FormulaC12H7F3N4O2
Molecular Weight296.21 g/mol
Exact Mass296.05
IUPAC Name2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol
SMILESOc1ccc(OC(F)(F)F)cc1-c1cccc2nnnn12
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)21-7-4-5-10(20)8(6-7)9-2-1-3-11-16-17-18-19(9)11/h1-6,20H
InChIKeyDOQCKJGSRDNGCP-UHFFFAOYSA-N
XLogP2.40
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminoquinolin-8-yl)-4-(trifluoromethoxy)phenol
CID 137334476
2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol
CID 137341422
2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
CID 137340116
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone
CID 175643336
ethane;3-(trifluoromethoxy)phenol
CID 143201974
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol (CID 138379283) is 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol is Oc1ccc(OC(F)(F)F)cc1-c1cccc2nnnn12.
What is the InChIKey of 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol?
The InChIKey is DOQCKJGSRDNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2/c13-12(14,15)21-7-4-5-10(20)8(6-7)9-2-1-3-11-16-17-18-19(9)11/h1-6,20H.
What are the key properties of 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol?
2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol has a molecular weight of 296.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 138379283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).