1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole

C15H11Br2F2N — CID 159730483

IUPAC1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole
SMILESCn1ccc2cc(Br)c(F)cc21.Fc1ccc(Br)cc1
InChIInChI=1S/C9H7BrFN.C6H4BrF/c1-12-3-2-6-4-7(10)8(11)5-9(6)12;7-5-1-3-6(8)4-2-5/h2-5H,1H3;1-4H
InChIKeyNBEFZQUMVOKYIW-UHFFFAOYSA-N
MW403.06 g/mol
LogP5.67
Rot. Bonds

About 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole

1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole (PubChem CID 159730483) has the molecular formula C15H11Br2F2N and a molecular weight of 403.06 g/mol. Its IUPAC name is 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole.

Molecular Properties

Compound Name1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole
PubChem CID159730483
Molecular FormulaC15H11Br2F2N
Molecular Weight403.06 g/mol
Exact Mass400.92
IUPAC Name1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole
SMILESCn1ccc2cc(Br)c(F)cc21.Fc1ccc(Br)cc1
InChIInChI=1S/C9H7BrFN.C6H4BrF/c1-12-3-2-6-4-7(10)8(11)5-9(6)12;7-5-1-3-6(8)4-2-5/h2-5H,1H3;1-4H
InChIKeyNBEFZQUMVOKYIW-UHFFFAOYSA-N
XLogP5.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.06
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluorophenyl)-1-methylindole
CID 172686115
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58411045
2-(6-fluoro-1-methylindol-5-yl)ethanamine;hydrochloride
CID 135381436
5-fluoro-6-isocyano-1-methylindole
CID 170653117
1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176563503
6-bromo-7,8-difluoro-2-methylisoquinolin-1-one
CID 170048700
11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene
CID 122448804
1-methylindole-5,6-diol;hydrobromide
CID 22287706
5-bromo-1-(trideuteriomethyl)indole
CID 155291943
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole?
The IUPAC name of 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole (CID 159730483) is 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole.
What is the SMILES notation for 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole?
The canonical SMILES for 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole is Cn1ccc2cc(Br)c(F)cc21.Fc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole?
The InChIKey is NBEFZQUMVOKYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN.C6H4BrF/c1-12-3-2-6-4-7(10)8(11)5-9(6)12;7-5-1-3-6(8)4-2-5/h2-5H,1H3;1-4H.
What are the key properties of 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole?
1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole has a molecular weight of 403.06 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole is sourced from PubChem (CID 159730483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).