2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine

C12H4Cl2F4N4 — CID 22466148

IUPAC2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=Nc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C12H4Cl2F4N4/c13-7-3-9(15)6(2-10(7)21-22-19)11-8(14)1-5(4-20-11)12(16,17)18/h1-4H
InChIKeyZQDFRBZKRYFBFB-UHFFFAOYSA-N
MW351.09 g/mol
LogP6.16
Rot. Bonds2

About 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine

2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 22466148) has the molecular formula C12H4Cl2F4N4 and a molecular weight of 351.09 g/mol. Its IUPAC name is 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID22466148
Molecular FormulaC12H4Cl2F4N4
Molecular Weight351.09 g/mol
Exact Mass349.97
IUPAC Name2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=Nc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C12H4Cl2F4N4/c13-7-3-9(15)6(2-10(7)21-22-19)11-8(14)1-5(4-20-11)12(16,17)18/h1-4H
InChIKeyZQDFRBZKRYFBFB-UHFFFAOYSA-N
XLogP6.16
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.09
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
CID 15335409
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 139927493
3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenoxy]-2-methoxypropanoic acid
CID 175321398
3-(5-azido-4-chloro-2-fluorophenyl)-4-bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 11069323
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 139927496
ethyl 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenoxy]-2-methoxyacetate
CID 134209488
methyl 2-[[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]sulfonyl-methylamino]acetate
CID 11488354
3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol
CID 151157271
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
6-azido-5-chloro-1,3-benzoxazole
CID 151821768
(2,4-dichlorophenyl)methyl 3-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 172706747

Frequently Asked Questions

What is the IUPAC name of 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine (CID 22466148) is 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine is [N-]=[N+]=Nc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is ZQDFRBZKRYFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F4N4/c13-7-3-9(15)6(2-10(7)21-22-19)11-8(14)1-5(4-20-11)12(16,17)18/h1-4H.
What are the key properties of 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine?
2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 351.09 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 22466148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).