methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate

C10H6BrClFNO2 — CID 155973516

IUPACmethyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(F)c(Cl)c(Br)cc2[nH]1
InChIInChI=1S/C10H6BrClFNO2/c1-16-10(15)7-2-4-6(14-7)3-5(11)8(12)9(4)13/h2-3,14H,1H3
InChIKeyPOMPUHMPBRVAER-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.51
Rot. Bonds1

About methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate

methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate (PubChem CID 155973516) has the molecular formula C10H6BrClFNO2 and a molecular weight of 306.52 g/mol. Its IUPAC name is methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
PubChem CID155973516
Molecular FormulaC10H6BrClFNO2
Molecular Weight306.52 g/mol
Exact Mass304.93
IUPAC Namemethyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(F)c(Cl)c(Br)cc2[nH]1
InChIInChI=1S/C10H6BrClFNO2/c1-16-10(15)7-2-4-6(14-7)3-5(11)8(12)9(4)13/h2-3,14H,1H3
InChIKeyPOMPUHMPBRVAER-UHFFFAOYSA-N
XLogP3.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 135358052
methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate
CID 167525145
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate
CID 176811321
methyl 4-bromo-5-iodo-1H-indole-2-carboxylate
CID 147093940
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
methyl 4-chloro-6-phenoxy-1H-indole-2-carboxylate
CID 135358602
methyl 4-(4-bromophenyl)sulfanyl-1H-indole-2-carboxylate
CID 91531548
methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 46738864

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate (CID 155973516) is methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate is COC(=O)c1cc2c(F)c(Cl)c(Br)cc2[nH]1.
What is the InChIKey of methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
The InChIKey is POMPUHMPBRVAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNO2/c1-16-10(15)7-2-4-6(14-7)3-5(11)8(12)9(4)13/h2-3,14H,1H3.
What are the key properties of methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate has a molecular weight of 306.52 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 155973516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).