3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine

C6HBrCl2F3NO — CID 130093759

IUPAC3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cnc(Cl)c(Br)c1Cl
InChIInChI=1S/C6HBrCl2F3NO/c7-3-4(8)2(1-13-5(3)9)14-6(10,11)12/h1H
InChIKeyKWTCBIPRMCMFDW-UHFFFAOYSA-N
MW310.88 g/mol
LogP4.05
Rot. Bonds1

About 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine

3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine (PubChem CID 130093759) has the molecular formula C6HBrCl2F3NO and a molecular weight of 310.88 g/mol. Its IUPAC name is 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
PubChem CID130093759
Molecular FormulaC6HBrCl2F3NO
Molecular Weight310.88 g/mol
Exact Mass308.86
IUPAC Name3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1cnc(Cl)c(Br)c1Cl
InChIInChI=1S/C6HBrCl2F3NO/c7-3-4(8)2(1-13-5(3)9)14-6(10,11)12/h1H
InChIKeyKWTCBIPRMCMFDW-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.88
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-4-chloro-5-(trifluoromethoxy)pyridine
CID 118811403
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
3-bromo-4-fluoro-2-methyl-5-(trifluoromethoxy)pyridine
CID 131214212
2-chloro-5-fluoro-3-(trifluoromethoxy)pyridine
CID 119020397
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118995388
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
[5-bromo-6-chloro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131607923
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
5-chloro-2-(trifluoromethoxy)pyrimidine
CID 118989639

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine (CID 130093759) is 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine is FC(F)(F)Oc1cnc(Cl)c(Br)c1Cl.
What is the InChIKey of 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine?
The InChIKey is KWTCBIPRMCMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2F3NO/c7-3-4(8)2(1-13-5(3)9)14-6(10,11)12/h1H.
What are the key properties of 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine?
3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine has a molecular weight of 310.88 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dichloro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130093759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).