2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol

C8H5FN4O — CID 146637744

IUPAC2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol
SMILESOc1ccc(-c2nncnn2)cc1F
InChIInChI=1S/C8H5FN4O/c9-6-3-5(1-2-7(6)14)8-12-10-4-11-13-8/h1-4,14H
InChIKeyMMNHZMOCHRNNFK-UHFFFAOYSA-N
MW192.15 g/mol
LogP0.78
Rot. Bonds1

About 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol

2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol (PubChem CID 146637744) has the molecular formula C8H5FN4O and a molecular weight of 192.15 g/mol. Its IUPAC name is 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol
PubChem CID146637744
Molecular FormulaC8H5FN4O
Molecular Weight192.15 g/mol
Exact Mass192.04
IUPAC Name2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol
SMILESOc1ccc(-c2nncnn2)cc1F
InChIInChI=1S/C8H5FN4O/c9-6-3-5(1-2-7(6)14)8-12-10-4-11-13-8/h1-4,14H
InChIKeyMMNHZMOCHRNNFK-UHFFFAOYSA-N
XLogP0.78
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
3,3'-(1,2,4,5-Tetrazine-3,6-diyl)diphenol
CID 269792
Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-
CID 300451
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
4-(1H-1,2,3,4-tetrazol-5-yl)phenol
CID 863634
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]phenol
CID 497166
6,6'-(1,2-Dihydro-1,2,4,5-tetrazine-3,6-diylidene)di(cyclohexa-2,4-dien-1-one)
CID 136229799
2-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 162406556
4-[2-(Difluoromethyl)tetrazol-5-yl]-2-methylphenol
CID 135974520
3-Fluoro-4-(1H-1,2,3,4-tetrazol-5-yl)phenol
CID 136024993
2-fluoro-4-(2H-tetrazol-5-yl)phenol
CID 136363979
2-Fluoro-4-[2-(1-trimethylsilyloxyethyl)tetrazol-5-yl]phenol
CID 136429952

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol?
The IUPAC name of 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol (CID 146637744) is 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol?
The canonical SMILES for 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol is Oc1ccc(-c2nncnn2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol?
The InChIKey is MMNHZMOCHRNNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O/c9-6-3-5(1-2-7(6)14)8-12-10-4-11-13-8/h1-4,14H.
What are the key properties of 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol?
2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol has a molecular weight of 192.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,2,4,5-tetrazin-3-yl)phenol is sourced from PubChem (CID 146637744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).