3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine

C6HBrClF3INO — CID 130934949

IUPAC3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1nc(Cl)cc(I)c1Br
InChIInChI=1S/C6HBrClF3INO/c7-4-2(12)1-3(8)13-5(4)14-6(9,10)11/h1H
InChIKeyMJOBCPNDRQRJLC-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.00
Rot. Bonds1

About 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine

3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine (PubChem CID 130934949) has the molecular formula C6HBrClF3INO and a molecular weight of 402.34 g/mol. Its IUPAC name is 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
PubChem CID130934949
Molecular FormulaC6HBrClF3INO
Molecular Weight402.34 g/mol
Exact Mass400.79
IUPAC Name3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1nc(Cl)cc(I)c1Br
InChIInChI=1S/C6HBrClF3INO/c7-4-2(12)1-3(8)13-5(4)14-6(9,10)11/h1H
InChIKeyMJOBCPNDRQRJLC-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

3,6-dibromo-4-chloro-2-(trifluoromethoxy)pyridine
CID 118833754
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
CID 131118784
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
6-bromo-5-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130909745
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042
4,5-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118817438
6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111265
2-bromo-5-iodo-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133094814
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 133087757

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine (CID 130934949) is 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine is FC(F)(F)Oc1nc(Cl)cc(I)c1Br.
What is the InChIKey of 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine?
The InChIKey is MJOBCPNDRQRJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrClF3INO/c7-4-2(12)1-3(8)13-5(4)14-6(9,10)11/h1H.
What are the key properties of 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine?
3-bromo-6-chloro-4-iodo-2-(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 3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130934949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).