2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine

C7H2ClF4N3 — CID 137346991

IUPAC2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine
SMILESFc1cc(C2(C(F)(F)F)N=N2)cnc1Cl
InChIInChI=1S/C7H2ClF4N3/c8-5-4(9)1-3(2-13-5)6(14-15-6)7(10,11)12/h1-2H
InChIKeyZFGGXVGODDPCIU-UHFFFAOYSA-N
MW239.56 g/mol
LogP3.06
Rot. Bonds1

About 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine

2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine (PubChem CID 137346991) has the molecular formula C7H2ClF4N3 and a molecular weight of 239.56 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine
PubChem CID137346991
Molecular FormulaC7H2ClF4N3
Molecular Weight239.56 g/mol
Exact Mass238.99
IUPAC Name2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine
SMILESFc1cc(C2(C(F)(F)F)N=N2)cnc1Cl
InChIInChI=1S/C7H2ClF4N3/c8-5-4(9)1-3(2-13-5)6(14-15-6)7(10,11)12/h1-2H
InChIKeyZFGGXVGODDPCIU-UHFFFAOYSA-N
XLogP3.06
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
The IUPAC name of 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine (CID 137346991) is 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine.
What is the SMILES notation for 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
The canonical SMILES for 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine is Fc1cc(C2(C(F)(F)F)N=N2)cnc1Cl.
What is the InChIKey of 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
The InChIKey is ZFGGXVGODDPCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF4N3/c8-5-4(9)1-3(2-13-5)6(14-15-6)7(10,11)12/h1-2H.
What are the key properties of 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine?
2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine has a molecular weight of 239.56 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-[3-(trifluoromethyl)diazirin-3-yl]pyridine is sourced from PubChem (CID 137346991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).