2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene

C5H2FN — CID 175200961

IUPAC2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene
SMILESFc1ncc2cc1-2
InChIInChI=1S/C5H2FN/c6-5-4-1-3(4)2-7-5/h1-2H
InChIKeyVXTBXOODYPWIHP-UHFFFAOYSA-N
MW95.08 g/mol
LogP1.20
Rot. Bonds

About 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene

2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 175200961) has the molecular formula C5H2FN and a molecular weight of 95.08 g/mol. Its IUPAC name is 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID175200961
Molecular FormulaC5H2FN
Molecular Weight95.08 g/mol
Exact Mass95.02
IUPAC Name2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene
SMILESFc1ncc2cc1-2
InChIInChI=1S/C5H2FN/c6-5-4-1-3(4)2-7-5/h1-2H
InChIKeyVXTBXOODYPWIHP-UHFFFAOYSA-N
XLogP1.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566
5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine
CID 165477598
6-fluoro-5-phenylpyridine-3-thiol
CID 131212885
5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
5-(3,5-dichlorophenyl)-2,3-difluoropyridine
CID 133090630
2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
CID 133089527
3,5-bis(2,3-difluorophenyl)pyridin-2-amine
CID 133086642
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine
CID 133089918
6-[2-amino-5-(2-fluoro-5-nitro-3-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 122597259
4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile
CID 166402810

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene (CID 175200961) is 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene is Fc1ncc2cc1-2.
What is the InChIKey of 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is VXTBXOODYPWIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FN/c6-5-4-1-3(4)2-7-5/h1-2H.
What are the key properties of 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene?
2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 95.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 175200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).