methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate

C18H12BrNO2S — CID 71023298

IUPACmethyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C18H12BrNO2S/c1-22-18(21)17-16(8-9-23-17)20-14-5-3-2-4-12(14)13-10-11(19)6-7-15(13)20/h2-10H,1H3
InChIKeyJLZKINUKGMMNSN-UHFFFAOYSA-N
MW386.27 g/mol
LogP5.39
Rot. Bonds2

About methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate

methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate (PubChem CID 71023298) has the molecular formula C18H12BrNO2S and a molecular weight of 386.27 g/mol. Its IUPAC name is methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate
PubChem CID71023298
Molecular FormulaC18H12BrNO2S
Molecular Weight386.27 g/mol
Exact Mass384.98
IUPAC Namemethyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C18H12BrNO2S/c1-22-18(21)17-16(8-9-23-17)20-14-5-3-2-4-12(14)13-10-11(19)6-7-15(13)20/h2-10H,1H3
InChIKeyJLZKINUKGMMNSN-UHFFFAOYSA-N
XLogP5.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-carbazol-9-ylthiophene-2-carboxylate
CID 70982066
3-(3,6-dibromocarbazol-9-yl)-5-methoxycarbonylbenzoic acid
CID 141392763
dimethyl 6,9-dibromophenanthro[9,10-c]thiophene-1,3-dicarboxylate
CID 101406188
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
methyl 9-thiophen-2-ylcarbazole-2-carboxylate
CID 59626526
methyl 3-[2-[2-(4-bromoanilino)-2-oxoacetyl]pyrrol-1-yl]thiophene-2-carboxylate
CID 2767934
methyl 3-[[1-[(4-bromophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]thiophene-2-carboxylate
CID 3374035
methyl 3-bromophenanthrene-9-carboxylate
CID 15646920
CID 147627416
CID 147627416
9-(4-bromo-2-chlorophenyl)carbazole
CID 134843390
dimethyl 2-benzothiophene-1,3-dicarboxylate
CID 24977408

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate (CID 71023298) is methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate is COC(=O)c1sccc1-n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate?
The InChIKey is JLZKINUKGMMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO2S/c1-22-18(21)17-16(8-9-23-17)20-14-5-3-2-4-12(14)13-10-11(19)6-7-15(13)20/h2-10H,1H3.
What are the key properties of methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate?
methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate has a molecular weight of 386.27 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-bromocarbazol-9-yl)thiophene-2-carboxylate is sourced from PubChem (CID 71023298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).