3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine

C12H6F4N4 — CID 163286692

IUPAC3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine
SMILES[N-]=[N+]=Nc1ccc(-c2cccnc2F)c(C(F)(F)F)c1
InChIInChI=1S/C12H6F4N4/c13-11-9(2-1-5-18-11)8-4-3-7(19-20-17)6-10(8)12(14,15)16/h1-6H
InChIKeyCXZCBGGZQAXMJT-UHFFFAOYSA-N
MW282.20 g/mol
LogP4.85
Rot. Bonds2

About 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine

3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine (PubChem CID 163286692) has the molecular formula C12H6F4N4 and a molecular weight of 282.20 g/mol. Its IUPAC name is 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine.

Molecular Properties

Compound Name3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine
PubChem CID163286692
Molecular FormulaC12H6F4N4
Molecular Weight282.20 g/mol
Exact Mass282.05
IUPAC Name3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine
SMILES[N-]=[N+]=Nc1ccc(-c2cccnc2F)c(C(F)(F)F)c1
InChIInChI=1S/C12H6F4N4/c13-11-9(2-1-5-18-11)8-4-3-7(19-20-17)6-10(8)12(14,15)16/h1-6H
InChIKeyCXZCBGGZQAXMJT-UHFFFAOYSA-N
XLogP4.85
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-(2-azidoethyl)-3-(trifluoromethyl)pyridine
CID 150181996
4-azido-3-[2-(trifluoromethyl)phenyl]thiopyrano[3,2-b]pyridin-2-one
CID 89155667
2-[4-azido-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 169324790
2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
CID 130181953
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
2-[[2-[[4-azido-2-(trifluoromethyl)benzoyl]amino]acetyl]amino]acetic acid
CID 155446838
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
5-azido-1,3-difluoro-2-(2-fluorophenyl)benzene
CID 155670761
4-(3-azidophenyl)-2-(trifluoromethyl)benzoic acid
CID 155436745

Frequently Asked Questions

What is the IUPAC name of 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine?
The IUPAC name of 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine (CID 163286692) is 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine.
What is the SMILES notation for 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine?
The canonical SMILES for 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine is [N-]=[N+]=Nc1ccc(-c2cccnc2F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine?
The InChIKey is CXZCBGGZQAXMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N4/c13-11-9(2-1-5-18-11)8-4-3-7(19-20-17)6-10(8)12(14,15)16/h1-6H.
What are the key properties of 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine?
3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine has a molecular weight of 282.20 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-azido-2-(trifluoromethyl)phenyl]-2-fluoropyridine is sourced from PubChem (CID 163286692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).