2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole

C11H6Br3F2NO — CID 42613053

IUPAC2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(F)c(-c2[nH]c(Br)c(Br)c2Br)c1F
InChIInChI=1S/C11H6Br3F2NO/c1-18-5-3-2-4(15)6(9(5)16)10-7(12)8(13)11(14)17-10/h2-3,17H,1H3
InChIKeyNBFUSEBTBDTSDO-UHFFFAOYSA-N
MW445.88 g/mol
LogP5.26
Rot. Bonds2

About 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole

2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole (PubChem CID 42613053) has the molecular formula C11H6Br3F2NO and a molecular weight of 445.88 g/mol. Its IUPAC name is 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole
PubChem CID42613053
Molecular FormulaC11H6Br3F2NO
Molecular Weight445.88 g/mol
Exact Mass442.80
IUPAC Name2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(F)c(-c2[nH]c(Br)c(Br)c2Br)c1F
InChIInChI=1S/C11H6Br3F2NO/c1-18-5-3-2-4(15)6(9(5)16)10-7(12)8(13)11(14)17-10/h2-3,17H,1H3
InChIKeyNBFUSEBTBDTSDO-UHFFFAOYSA-N
XLogP5.26
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.88
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(2,4-difluorophenyl)-3-fluoro-4-methoxybenzene
CID 118898127
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
4-bromo-2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
CID 66896877
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
6-bromo-2-fluoro-3-methoxybenzenethiol
CID 171005747
(4R)-4-(2,6-difluoro-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185407
2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405429
(2-bromo-6-fluoro-3-methoxyphenyl)-methylborinic acid
CID 123761758
4-chloro-5-(2,6-difluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-2-methylimidazole
CID 66954826
5-(2-bromo-6-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402418

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole (CID 42613053) is 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole is COc1ccc(F)c(-c2[nH]c(Br)c(Br)c2Br)c1F.
What is the InChIKey of 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole?
The InChIKey is NBFUSEBTBDTSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3F2NO/c1-18-5-3-2-4(15)6(9(5)16)10-7(12)8(13)11(14)17-10/h2-3,17H,1H3.
What are the key properties of 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole?
2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole has a molecular weight of 445.88 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromo-5-(2,6-difluoro-3-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 42613053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).