2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide

C78H54Br2F5N9O6 — CID 162002955

IUPAC2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide
SMILESCOc1ccc(-n2c(Br)c(C#N)c3c(F)cccc32)cc1.COc1ccc(-n2cc(C#N)c3c(F)cccc32)cc1.COc1ccc(-n2cc(C(N)=O)c3c(F)cccc32)cc1.COc1ccc(-n2ccc3c(F)cccc32)cc1.N#Cc1c(Br)n(-c2ccc(O)cc2)c2cccc(F)c12
InChIInChI=1S/C16H10BrFN2O.C16H13FN2O2.C16H11FN2O.C15H8BrFN2O.C15H12FNO/c1-21-11-7-5-10(6-8-11)20-14-4-2-3-13(18)15(14)12(9-19)16(20)17;1-21-11-7-5-10(6-8-11)19-9-12(16(18)20)15-13(17)3-2-4-14(15)19;1-20-13-7-5-12(6-8-13)19-10-11(9-18)16-14(17)3-2-4-15(16)19;16-15-11(8-18)14-12(17)2-1-3-13(14)19(15)9-4-6-10(20)7-5-9;1-18-12-7-5-11(6-8-12)17-10-9-13-14(16)3-2-4-15(13)17/h2-8H,1H3;2-9H,1H3,(H2,18,20);2-8,10H,1H3;1-7,20H;2-10H,1H3
InChIKeyYSLMLIUDVKPFGK-UHFFFAOYSA-N
MW1468.14 g/mol
LogP18.83
Rot. Bonds10

About 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide

2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide (PubChem CID 162002955) has the molecular formula C78H54Br2F5N9O6 and a molecular weight of 1468.14 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide
PubChem CID162002955
Molecular FormulaC78H54Br2F5N9O6
Molecular Weight1468.14 g/mol
Exact Mass1465.25
IUPAC Name2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide
SMILESCOc1ccc(-n2c(Br)c(C#N)c3c(F)cccc32)cc1.COc1ccc(-n2cc(C#N)c3c(F)cccc32)cc1.COc1ccc(-n2cc(C(N)=O)c3c(F)cccc32)cc1.COc1ccc(-n2ccc3c(F)cccc32)cc1.N#Cc1c(Br)n(-c2ccc(O)cc2)c2cccc(F)c12
InChIInChI=1S/C16H10BrFN2O.C16H13FN2O2.C16H11FN2O.C15H8BrFN2O.C15H12FNO/c1-21-11-7-5-10(6-8-11)20-14-4-2-3-13(18)15(14)12(9-19)16(20)17;1-21-11-7-5-10(6-8-11)19-9-12(16(18)20)15-13(17)3-2-4-14(15)19;1-20-13-7-5-12(6-8-13)19-10-11(9-18)16-14(17)3-2-4-15(16)19;16-15-11(8-18)14-12(17)2-1-3-13(14)19(15)9-4-6-10(20)7-5-9;1-18-12-7-5-11(6-8-12)17-10-9-13-14(16)3-2-4-15(13)17/h2-8H,1H3;2-9H,1H3,(H2,18,20);2-8,10H,1H3;1-7,20H;2-10H,1H3
InChIKeyYSLMLIUDVKPFGK-UHFFFAOYSA-N
XLogP18.83
TPSA196.26 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.14
LogP ≤ 518.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide with MolForge

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Related Compounds

4-fluoro-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide
CID 154515077
2-bromo-1-(4-methoxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-N'-hydroxy-1-(4-hydroxyphenyl)indole-3-carboximidamide;2-(4-fluorophenoxy)-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-(4-fluorophenoxy)-1-(4-methoxyphenyl)indole-3-carbonitrile
CID 172971897
5,6-dihydroxy-1-(4-methoxyphenyl)indole-3-carbonitrile
CID 71176607
4-(3-cyanoindol-1-yl)-2-hydroxybenzamide
CID 141458608
ethyl 4-(3-cyano-5-methoxyindol-1-yl)benzoate
CID 145493874
2-[(1-cyanoindolizin-2-yl)methoxy]-4-methoxybenzamide
CID 47019616
(E)-2-cyano-3-[1-(4-methoxyphenyl)indol-3-yl]prop-2-enoic acid
CID 137374797
N-(4-methoxyphenyl)-N-methyl-1-phenylindol-4-amine
CID 102574137
[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
CID 132570584
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505
2-bromo-1-(4-methoxyphenyl)indol-3-amine
CID 70910020
2-amino-N-(2-cyano-3-fluorophenyl)-5-methoxybenzamide
CID 60954359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide?
The IUPAC name of 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide (CID 162002955) is 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide.
What is the SMILES notation for 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide?
The canonical SMILES for 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide is COc1ccc(-n2c(Br)c(C#N)c3c(F)cccc32)cc1.COc1ccc(-n2cc(C#N)c3c(F)cccc32)cc1.COc1ccc(-n2cc(C(N)=O)c3c(F)cccc32)cc1.COc1ccc(-n2ccc3c(F)cccc32)cc1.N#Cc1c(Br)n(-c2ccc(O)cc2)c2cccc(F)c12.
What is the InChIKey of 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide?
The InChIKey is YSLMLIUDVKPFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O.C16H13FN2O2.C16H11FN2O.C15H8BrFN2O.C15H12FNO/c1-21-11-7-5-10(6-8-11)20-14-4-2-3-13(18)15(14)12(9-19)16(20)17;1-21-11-7-5-10(6-8-11)19-9-12(16(18)20)15-13(17)3-2-4-14(15)19;1-20-13-7-5-12(6-8-13)19-10-11(9-18)16-14(17)3-2-4-15(16)19;16-15-11(8-18)14-12(17)2-1-3-13(14)19(15)9-4-6-10(20)7-5-9;1-18-12-7-5-11(6-8-12)17-10-9-13-14(16)3-2-4-15(13)17/h2-8H,1H3;2-9H,1H3,(H2,18,20);2-8,10H,1H3;1-7,20H;2-10H,1H3.
What are the key properties of 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide?
2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide has a molecular weight of 1468.14 g/mol, XLogP of 18.83, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-(4-hydroxyphenyl)indole-3-carbonitrile;2-bromo-4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole;4-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;4-fluoro-1-(4-methoxyphenyl)indole-3-carboxamide is sourced from PubChem (CID 162002955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).