1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole

C8H6FN5O2 — CID 170646036

IUPAC1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
SMILESCc1nnnn1-c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C8H6FN5O2/c1-5-10-11-12-13(5)6-2-3-8(14(15)16)7(9)4-6/h2-4H,1H3
InChIKeyZFMKDGCIKNVOOY-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.02
Rot. Bonds2

About 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole

1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole (PubChem CID 170646036) has the molecular formula C8H6FN5O2 and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole.

Molecular Properties

Compound Name1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
PubChem CID170646036
Molecular FormulaC8H6FN5O2
Molecular Weight223.17 g/mol
Exact Mass223.05
IUPAC Name1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole
SMILESCc1nnnn1-c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C8H6FN5O2/c1-5-10-11-12-13(5)6-2-3-8(14(15)16)7(9)4-6/h2-4H,1H3
InChIKeyZFMKDGCIKNVOOY-UHFFFAOYSA-N
XLogP1.02
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943044
[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]methanamine
CID 82844757
1-(4-fluoro-3-nitrophenyl)-5-methyltriazol-4-amine
CID 79508285
N-[[1-(4-fluoro-3-nitrophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62735419
1-(4-fluoro-3-nitrophenyl)-4-methyltetrazol-5-one
CID 58287202
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136545609
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
CID 102943043
(3-fluoro-4-nitrophenyl)-trimethylsilane
CID 59140187
4-fluoro-3-(5-methyltetrazol-1-yl)benzenesulfonyl chloride
CID 63104332
1-[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 21278913

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole?
The IUPAC name of 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole (CID 170646036) is 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole.
What is the SMILES notation for 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole?
The canonical SMILES for 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole is Cc1nnnn1-c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole?
The InChIKey is ZFMKDGCIKNVOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O2/c1-5-10-11-12-13(5)6-2-3-8(14(15)16)7(9)4-6/h2-4H,1H3.
What are the key properties of 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole?
1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole has a molecular weight of 223.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-nitrophenyl)-5-methyltetrazole is sourced from PubChem (CID 170646036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).