4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine

C14H9F3N2 — CID 135044342

IUPAC4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine
SMILESFC(F)(F)c1ccc(C2=NC2c2ccncc2)cc1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-13(19-12)10-5-7-18-8-6-10/h1-8,13H
InChIKeyHPNBCZYKGCWHJB-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.64
Rot. Bonds2

About 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine

4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine (PubChem CID 135044342) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine
PubChem CID135044342
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine
SMILESFC(F)(F)c1ccc(C2=NC2c2ccncc2)cc1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-13(19-12)10-5-7-18-8-6-10/h1-8,13H
InChIKeyHPNBCZYKGCWHJB-UHFFFAOYSA-N
XLogP3.64
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 89594
CID 89594
CID 5282443
CID 5282443
CID 205586
CID 205586
CID 942
CID 942
CID 4761
CID 4761
CID 2181
CID 2181
CID 15664
CID 15664
CID 442649
CID 442649
CID 5702129
CID 5702129
CID 7728
CID 7728
CID 18985
CID 18985
CID 13651
CID 13651

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine (CID 135044342) is 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine is FC(F)(F)c1ccc(C2=NC2c2ccncc2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine?
The InChIKey is HPNBCZYKGCWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-13(19-12)10-5-7-18-8-6-10/h1-8,13H.
What are the key properties of 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine?
4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine has a molecular weight of 262.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine is sourced from PubChem (CID 135044342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).