6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene

C7H6FN — CID 134424608

IUPAC6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene
SMILESCC1=C=CC=C(F)C=N1
InChIInChI=1S/C7H6FN/c1-6-3-2-4-7(8)5-9-6/h2,4-5H,1H3
InChIKeyUIDUYMRMPZBGKX-UHFFFAOYSA-N
MW123.13 g/mol
LogP1.98
Rot. Bonds

About 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene

6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene (PubChem CID 134424608) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene
PubChem CID134424608
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Name6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene
SMILESCC1=C=CC=C(F)C=N1
InChIInChI=1S/C7H6FN/c1-6-3-2-4-7(8)5-9-6/h2,4-5H,1H3
InChIKeyUIDUYMRMPZBGKX-UHFFFAOYSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
CID 142931568
(E)-2-fluoro-N-prop-1-en-2-ylbut-2-en-1-imine
CID 144406116
2-Methyl-6-(trifluoromethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 156349364
6-Methyl-2-(trifluoromethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 143072435
2-Methyl-1-azacyclohepta-2,3,5,7-tetraene
CID 91375628
2-Methyl-1-azacyclohepta-2,4,5,7-tetraene
CID 141909236
Lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene
CID 144526001
magnesium;5-fluoro-6-methyl-3H-pyridin-3-ide;bromide
CID 157214345

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
The IUPAC name of 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene (CID 134424608) is 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene.
What is the SMILES notation for 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
The canonical SMILES for 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene is CC1=C=CC=C(F)C=N1.
What is the InChIKey of 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
The InChIKey is UIDUYMRMPZBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN/c1-6-3-2-4-7(8)5-9-6/h2,4-5H,1H3.
What are the key properties of 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene has a molecular weight of 123.13 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-azacyclohepta-2,3,5,7-tetraene is sourced from PubChem (CID 134424608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).