2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine

C6HBrClF3INO — CID 119012985

IUPAC2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(Cl)cnc(Br)c1I
InChIInChI=1S/C6HBrClF3INO/c7-5-3(12)4(2(8)1-13-5)14-6(9,10)11/h1H
InChIKeyJJZUUWXAHGKMGE-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.00
Rot. Bonds1

About 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine

2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine (PubChem CID 119012985) has the molecular formula C6HBrClF3INO and a molecular weight of 402.34 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine
PubChem CID119012985
Molecular FormulaC6HBrClF3INO
Molecular Weight402.34 g/mol
Exact Mass400.79
IUPAC Name2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1c(Cl)cnc(Br)c1I
InChIInChI=1S/C6HBrClF3INO/c7-5-3(12)4(2(8)1-13-5)14-6(9,10)11/h1H
InChIKeyJJZUUWXAHGKMGE-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-5-iodo-4-(trifluoromethoxy)pyridine
CID 119011660
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118995388
5-chloro-2-fluoro-3-methyl-4-(trifluoromethoxy)pyridine
CID 130951618
2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
CID 131096509
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 131029007
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine (CID 119012985) is 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine is FC(F)(F)Oc1c(Cl)cnc(Br)c1I.
What is the InChIKey of 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine?
The InChIKey is JJZUUWXAHGKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrClF3INO/c7-5-3(12)4(2(8)1-13-5)14-6(9,10)11/h1H.
What are the key properties of 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine?
2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine has a molecular weight of 402.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-3-iodo-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119012985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).