ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate

C18H15BrClN3O3 — CID 70279561

IUPACethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate
SMILESCCOC(=O)c1c(Br)c(Cl)cc2[nH]c(C(=O)c3cccc(C)n3)c(N)c12
InChIInChI=1S/C18H15BrClN3O3/c1-3-26-18(25)13-12-11(7-9(20)14(13)19)23-16(15(12)21)17(24)10-6-4-5-8(2)22-10/h4-7,23H,3,21H2,1-2H3
InChIKeyGXWQJPBPLFZUMA-UHFFFAOYSA-N
MW436.69 g/mol
LogP4.28
Rot. Bonds4

About ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate

ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate (PubChem CID 70279561) has the molecular formula C18H15BrClN3O3 and a molecular weight of 436.69 g/mol. Its IUPAC name is ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate
PubChem CID70279561
Molecular FormulaC18H15BrClN3O3
Molecular Weight436.69 g/mol
Exact Mass435.00
IUPAC Nameethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate
SMILESCCOC(=O)c1c(Br)c(Cl)cc2[nH]c(C(=O)c3cccc(C)n3)c(N)c12
InChIInChI=1S/C18H15BrClN3O3/c1-3-26-18(25)13-12-11(7-9(20)14(13)19)23-16(15(12)21)17(24)10-6-4-5-8(2)22-10/h4-7,23H,3,21H2,1-2H3
InChIKeyGXWQJPBPLFZUMA-UHFFFAOYSA-N
XLogP4.28
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate (CID 70279561) is ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate is CCOC(=O)c1c(Br)c(Cl)cc2[nH]c(C(=O)c3cccc(C)n3)c(N)c12.
What is the InChIKey of ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate?
The InChIKey is GXWQJPBPLFZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O3/c1-3-26-18(25)13-12-11(7-9(20)14(13)19)23-16(15(12)21)17(24)10-6-4-5-8(2)22-10/h4-7,23H,3,21H2,1-2H3.
What are the key properties of ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate?
ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate has a molecular weight of 436.69 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-bromo-6-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indole-4-carboxylate is sourced from PubChem (CID 70279561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).