4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine

C7H2BrF6NO — CID 118833826

IUPAC4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
SMILESFc1ncc(C(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H2BrF6NO/c8-3-2(5(9)10)1-15-6(11)4(3)16-7(12,13)14/h1,5H
InChIKeyAVFTXVKUKCSEKZ-UHFFFAOYSA-N
MW309.99 g/mol
LogP3.82
Rot. Bonds2

About 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine

4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine (PubChem CID 118833826) has the molecular formula C7H2BrF6NO and a molecular weight of 309.99 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
PubChem CID118833826
Molecular FormulaC7H2BrF6NO
Molecular Weight309.99 g/mol
Exact Mass308.92
IUPAC Name4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
SMILESFc1ncc(C(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H2BrF6NO/c8-3-2(5(9)10)1-15-6(11)4(3)16-7(12,13)14/h1,5H
InChIKeyAVFTXVKUKCSEKZ-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.82
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

4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
CID 131096509
4-bromo-6-fluoro-5-(trifluoromethoxy)pyridin-3-ol
CID 118811661
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134681160
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine (CID 118833826) is 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine is Fc1ncc(C(F)F)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine?
The InChIKey is AVFTXVKUKCSEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF6NO/c8-3-2(5(9)10)1-15-6(11)4(3)16-7(12,13)14/h1,5H.
What are the key properties of 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine?
4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine has a molecular weight of 309.99 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118833826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).