6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate

C147H98Br14N14O30-12 — CID 159809080

IUPAC6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate
SMILESC#CCn1c(C(=O)[O-])cc2ccc(Br)cc21.C#Cn1c(C(=O)[O-])cc2ccc(Br)cc21.C/C=C/n1c(C(=O)[O-])cc2ccc(Br)cc21.C=CCn1c(C(=O)[O-])cc2ccc(Br)cc21.C=Cn1c(C(=O)[O-])cc2ccc(Br)cc21.CC(C)n1c(C(=O)[O-])cc2ccc(Br)cc21.CCn1c(C(=O)[O-])cc2ccc(Br)cc21.COC(=O)n1c(C(=O)[O-])cc2ccc(Br)cc21.Cn1c(C(=O)[O-])cc2ccc(Br)cc21.O=C(O)c1ccc2[nH]cc(Br)c2c1.O=C(O)c1cccc2[nH]cc(Br)c12.O=C([O-])c1[nH]c2ccccc2c1Br.O=C([O-])c1ccc2c(Br)c[nH]c2c1.O=C([O-])c1cccc2c(Br)c[nH]c12
InChIInChI=1S/C12H12BrNO2.2C12H10BrNO2.C12H8BrNO2.C11H8BrNO4.C11H10BrNO2.C11H8BrNO2.C11H6BrNO2.C10H8BrNO2.5C9H6BrNO2/c1-7(2)14-10-6-9(13)4-3-8(10)5-11(14)12(15)16;3*1-2-5-14-10-7-9(13)4-3-8(10)6-11(14)12(15)16;1-17-11(16)13-8-5-7(12)3-2-6(8)4-9(13)10(14)15;3*1-2-13-9-6-8(12)4-3-7(9)5-10(13)11(14)15;1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14;10-7-4-11-8-2-1-5(9(12)13)3-6(7)8;10-7-4-11-8-3-5(9(12)13)1-2-6(7)8;10-6-4-11-7-3-1-2-5(8(6)7)9(12)13;10-7-4-11-8-5(7)2-1-3-6(8)9(12)13;10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h3-7H,1-2H3,(H,15,16);2-7H,1H3,(H,15,16);2-4,6-7H,1,5H2,(H,15,16);1,3-4,6-7H,5H2,(H,15,16);2-5H,1H3,(H,14,15);3-6H,2H2,1H3,(H,14,15);2-6H,1H2,(H,14,15);1,3-6H,(H,14,15);2-5H,1H3,(H,13,14);5*1-4,11H,(H,12,13)/p-12/b;5-2+;;;;;;;;;;;;
InChIKeyNKUAUJPERCHDBJ-QCEOKCJPSA-B
MW3659.12 g/mol
LogP24.65
Rot. Bonds21

About 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate

6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate (PubChem CID 159809080) has the molecular formula C147H98Br14N14O30-12 and a molecular weight of 3659.12 g/mol. Its IUPAC name is 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate.

Molecular Properties

Compound Name6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate
PubChem CID159809080
Molecular FormulaC147H98Br14N14O30-12
Molecular Weight3659.12 g/mol
Exact Mass3643.52
IUPAC Name6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate
SMILESC#CCn1c(C(=O)[O-])cc2ccc(Br)cc21.C#Cn1c(C(=O)[O-])cc2ccc(Br)cc21.C/C=C/n1c(C(=O)[O-])cc2ccc(Br)cc21.C=CCn1c(C(=O)[O-])cc2ccc(Br)cc21.C=Cn1c(C(=O)[O-])cc2ccc(Br)cc21.CC(C)n1c(C(=O)[O-])cc2ccc(Br)cc21.CCn1c(C(=O)[O-])cc2ccc(Br)cc21.COC(=O)n1c(C(=O)[O-])cc2ccc(Br)cc21.Cn1c(C(=O)[O-])cc2ccc(Br)cc21.O=C(O)c1ccc2[nH]cc(Br)c2c1.O=C(O)c1cccc2[nH]cc(Br)c12.O=C([O-])c1[nH]c2ccccc2c1Br.O=C([O-])c1ccc2c(Br)c[nH]c2c1.O=C([O-])c1cccc2c(Br)c[nH]c12
InChIInChI=1S/C12H12BrNO2.2C12H10BrNO2.C12H8BrNO2.C11H8BrNO4.C11H10BrNO2.C11H8BrNO2.C11H6BrNO2.C10H8BrNO2.5C9H6BrNO2/c1-7(2)14-10-6-9(13)4-3-8(10)5-11(14)12(15)16;3*1-2-5-14-10-7-9(13)4-3-8(10)6-11(14)12(15)16;1-17-11(16)13-8-5-7(12)3-2-6(8)4-9(13)10(14)15;3*1-2-13-9-6-8(12)4-3-7(9)5-10(13)11(14)15;1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14;10-7-4-11-8-2-1-5(9(12)13)3-6(7)8;10-7-4-11-8-3-5(9(12)13)1-2-6(7)8;10-6-4-11-7-3-1-2-5(8(6)7)9(12)13;10-7-4-11-8-5(7)2-1-3-6(8)9(12)13;10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h3-7H,1-2H3,(H,15,16);2-7H,1H3,(H,15,16);2-4,6-7H,1,5H2,(H,15,16);1,3-4,6-7H,5H2,(H,15,16);2-5H,1H3,(H,14,15);3-6H,2H2,1H3,(H,14,15);2-6H,1H2,(H,14,15);1,3-6H,(H,14,15);2-5H,1H3,(H,13,14);5*1-4,11H,(H,12,13)/p-12/b;5-2+;;;;;;;;;;;;
InChIKeyNKUAUJPERCHDBJ-QCEOKCJPSA-B
XLogP24.65
TPSA705.78 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003659.12
LogP ≤ 524.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157064562
CID 157064562
2-(5-bromo-2-pyridinyl)-1-(carboxymethyl)-3-cyclohexylindole-6-carboxylic acid;3-cyclohexyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylic acid;1-cyclohexyl-2-phenylindole-5-carboxylic acid;3-cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid
CID 157164485
2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 157395490
deuterioethyne;bis(2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl benzene-1,2-dicarboxylate);1-hydroxypyrrolidine-2,5-dione;2-methoxycarbonylbenzoic acid;methyl (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoate;methyl (2S)-3-(5-bromo-1H-indol-3-yl)-2-(1,3-dioxoisoindol-2-yl)propanoate;methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-[5-(5-hydroxypent-1-ynyl)-1H-indol-3-yl]propanoate;pent-4-yn-1-ol;hydrate
CID 157449810
6-bromo-1H-indole-3-carboxylic acid;6-bromo-N-[(2S)-2-methylhexyl]-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-3-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-indole-3-carboxamide;6-(4-fluorophenyl)-N-[(2S)-2-methylhexyl]-1H-indole-3-carboxamide;hydrochloride
CID 157952052
N-[2-(4-aminobutylamino)-1-(5-bromo-1H-indol-3-yl)-2-oxoethyl]-5-methyl-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(4-hydroxybutylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-3-carboxamide;5-bromo-N-[1-(5-bromo-1H-indol-3-yl)-2-hydroxyethyl]-1H-indole-3-carboxamide;2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetic acid;methyl 2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)acetate
CID 158052925
tert-butyl (2S)-2-(6-carbamoyl-4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate;1-[(2S)-1-cyanopyrrolidine-2-carbonyl]-4-phenyl-2,3-dihydroindole-6-carboxamide;methyl 4-bromo-2,3-dihydro-1H-indole-6-carboxylate;methyl 4-bromo-1H-indole-6-carboxylate;methyl 4-bromo-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-2,3-dihydroindole-6-carboxylate;methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-4-phenyl-2,3-dihydroindole-6-carboxylate;1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-4-phenyl-2,3-dihydroindole-6-carboxylic acid
CID 158529866
CID 158652845
CID 158652845
Bromobenzene;9,19-ditert-butyl-3-azahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-4,14-dinaphthalen-1-yl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;9,19-ditert-butyl-3,13-diphenyl-3,13-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene;methane;methyl 14-acetyl-9,19-ditert-butyl-3-azahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),4,7(22),8,10,12(16),14,17(21),18-decaene-4-carboxylate;naphthalen-1-ylboronic acid;tungsten;yttrium
CID 158657035
2-[4-[[5-[1-(4-Bromophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-2-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[1-(4-bromophenyl)ethylcarbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[1-(4-nitrophenyl)ethylcarbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 158921639
3-[2-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;3-[2-[[5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 159820911
2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]-3-methylindol-1-yl]methyl]phenyl]benzoic acid;4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 159875102

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate?
The IUPAC name of 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate (CID 159809080) is 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate.
What is the SMILES notation for 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate?
The canonical SMILES for 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate is C#CCn1c(C(=O)[O-])cc2ccc(Br)cc21.C#Cn1c(C(=O)[O-])cc2ccc(Br)cc21.C/C=C/n1c(C(=O)[O-])cc2ccc(Br)cc21.C=CCn1c(C(=O)[O-])cc2ccc(Br)cc21.C=Cn1c(C(=O)[O-])cc2ccc(Br)cc21.CC(C)n1c(C(=O)[O-])cc2ccc(Br)cc21.CCn1c(C(=O)[O-])cc2ccc(Br)cc21.COC(=O)n1c(C(=O)[O-])cc2ccc(Br)cc21.Cn1c(C(=O)[O-])cc2ccc(Br)cc21.O=C(O)c1ccc2[nH]cc(Br)c2c1.O=C(O)c1cccc2[nH]cc(Br)c12.O=C([O-])c1[nH]c2ccccc2c1Br.O=C([O-])c1ccc2c(Br)c[nH]c2c1.O=C([O-])c1cccc2c(Br)c[nH]c12.
What is the InChIKey of 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate?
The InChIKey is NKUAUJPERCHDBJ-QCEOKCJPSA-B. The full InChI is InChI=1S/C12H12BrNO2.2C12H10BrNO2.C12H8BrNO2.C11H8BrNO4.C11H10BrNO2.C11H8BrNO2.C11H6BrNO2.C10H8BrNO2.5C9H6BrNO2/c1-7(2)14-10-6-9(13)4-3-8(10)5-11(14)12(15)16;3*1-2-5-14-10-7-9(13)4-3-8(10)6-11(14)12(15)16;1-17-11(16)13-8-5-7(12)3-2-6(8)4-9(13)10(14)15;3*1-2-13-9-6-8(12)4-3-7(9)5-10(13)11(14)15;1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14;10-7-4-11-8-2-1-5(9(12)13)3-6(7)8;10-7-4-11-8-3-5(9(12)13)1-2-6(7)8;10-6-4-11-7-3-1-2-5(8(6)7)9(12)13;10-7-4-11-8-5(7)2-1-3-6(8)9(12)13;10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h3-7H,1-2H3,(H,15,16);2-7H,1H3,(H,15,16);2-4,6-7H,1,5H2,(H,15,16);1,3-4,6-7H,5H2,(H,15,16);2-5H,1H3,(H,14,15);3-6H,2H2,1H3,(H,14,15);2-6H,1H2,(H,14,15);1,3-6H,(H,14,15);2-5H,1H3,(H,13,14);5*1-4,11H,(H,12,13)/p-12/b;5-2+;;;;;;;;;;;;.
What are the key properties of 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate?
6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate has a molecular weight of 3659.12 g/mol, XLogP of 24.65, 21 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethenylindole-2-carboxylate;6-bromo-1-ethylindole-2-carboxylate;6-bromo-1-ethynylindole-2-carboxylate;3-bromo-1H-indole-2-carboxylate;3-bromo-1H-indole-6-carboxylate;3-bromo-1H-indole-7-carboxylate;3-bromo-1H-indole-4-carboxylic acid;3-bromo-1H-indole-5-carboxylic acid;6-bromo-1-methoxycarbonylindole-2-carboxylate;6-bromo-1-methylindole-2-carboxylate;6-bromo-1-propan-2-ylindole-2-carboxylate;6-bromo-1-[(E)-prop-1-enyl]indole-2-carboxylate;6-bromo-1-prop-2-enylindole-2-carboxylate;6-bromo-1-prop-2-ynylindole-2-carboxylate is sourced from PubChem (CID 159809080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).