3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole

C13H7BrF3N3O — CID 178072913

IUPAC3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole
SMILESFc1ccc(-c2cnc(OC(F)F)cn2)c2c(Br)c[nH]c12
InChIInChI=1S/C13H7BrF3N3O/c14-7-3-20-12-8(15)2-1-6(11(7)12)9-4-19-10(5-18-9)21-13(16)17/h1-5,13,20H
InChIKeyZGNCOQMEHBYUPA-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.13
Rot. Bonds3

About 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole

3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole (PubChem CID 178072913) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole.

Molecular Properties

Compound Name3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole
PubChem CID178072913
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole
SMILESFc1ccc(-c2cnc(OC(F)F)cn2)c2c(Br)c[nH]c12
InChIInChI=1S/C13H7BrF3N3O/c14-7-3-20-12-8(15)2-1-6(11(7)12)9-4-19-10(5-18-9)21-13(16)17/h1-5,13,20H
InChIKeyZGNCOQMEHBYUPA-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole?
The IUPAC name of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole (CID 178072913) is 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole.
What is the SMILES notation for 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole?
The canonical SMILES for 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole is Fc1ccc(-c2cnc(OC(F)F)cn2)c2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole?
The InChIKey is ZGNCOQMEHBYUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-7-3-20-12-8(15)2-1-6(11(7)12)9-4-19-10(5-18-9)21-13(16)17/h1-5,13,20H.
What are the key properties of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole?
3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole has a molecular weight of 358.12 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole is sourced from PubChem (CID 178072913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).