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

C14H10BrF2N3O — CID 178073123

IUPAC3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole
SMILESCc1ccc(-c2cnc(OC(F)F)cn2)c2c(Br)c[nH]c12
InChIInChI=1S/C14H10BrF2N3O/c1-7-2-3-8(12-9(15)4-20-13(7)12)10-5-19-11(6-18-10)21-14(16)17/h2-6,14,20H,1H3
InChIKeyVYAJGZDGDWHRKL-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.30
Rot. Bonds3

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

3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole (PubChem CID 178073123) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole.

Molecular Properties

Compound Name3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole
PubChem CID178073123
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole
SMILESCc1ccc(-c2cnc(OC(F)F)cn2)c2c(Br)c[nH]c12
InChIInChI=1S/C14H10BrF2N3O/c1-7-2-3-8(12-9(15)4-20-13(7)12)10-5-19-11(6-18-10)21-14(16)17/h2-6,14,20H,1H3
InChIKeyVYAJGZDGDWHRKL-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole
CID 178072913
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazole-2-thione
CID 178073534
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole
CID 178073356
7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole
CID 178073465
6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol
CID 178073095
4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
CID 178073300
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659
3-bromo-5-(difluoromethoxy)-4-methylpyridine
CID 121227905
2-chloro-5-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)phenyl]pyrazine
CID 146470317
4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
CID 178072806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole?
The IUPAC name of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole (CID 178073123) is 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole.
What is the SMILES notation for 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole?
The canonical SMILES for 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole is Cc1ccc(-c2cnc(OC(F)F)cn2)c2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole?
The InChIKey is VYAJGZDGDWHRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-7-2-3-8(12-9(15)4-20-13(7)12)10-5-19-11(6-18-10)21-14(16)17/h2-6,14,20H,1H3.
What are the key properties of 3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole?
3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole has a molecular weight of 354.15 g/mol, XLogP of 4.30, 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-methyl-1H-indole is sourced from PubChem (CID 178073123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).