2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole

C9H7ClFN3O — CID 104785718

IUPAC2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2cncc(F)c2)o1
InChIInChI=1S/C9H7ClFN3O/c1-5(10)8-13-14-9(15-8)6-2-7(11)4-12-3-6/h2-5H,1H3
InChIKeyGZIQHPNFGAEJCR-UHFFFAOYSA-N
MW227.63 g/mol
LogP2.57
Rot. Bonds2

About 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole

2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 104785718) has the molecular formula C9H7ClFN3O and a molecular weight of 227.63 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID104785718
Molecular FormulaC9H7ClFN3O
Molecular Weight227.63 g/mol
Exact Mass227.03
IUPAC Name2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2cncc(F)c2)o1
InChIInChI=1S/C9H7ClFN3O/c1-5(10)8-13-14-9(15-8)6-2-7(11)4-12-3-6/h2-5H,1H3
InChIKeyGZIQHPNFGAEJCR-UHFFFAOYSA-N
XLogP2.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 114770928
2-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
CID 43513099
2-(1-chloroethyl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 43513112
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 16768252
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
2-(1-chloroethyl)-5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazole
CID 43419715
2-(1-chloroethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 82815077
2-(4-butoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 43513070
(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
CID 71692413

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole (CID 104785718) is 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2cncc(F)c2)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is GZIQHPNFGAEJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O/c1-5(10)8-13-14-9(15-8)6-2-7(11)4-12-3-6/h2-5H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 227.63 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 104785718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).