methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate

C10H7BrN2O3 — CID 87288420

IUPACmethyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c[nH]c2c(Br)nccc12
InChIInChI=1S/C10H7BrN2O3/c1-16-10(15)8(14)6-4-13-7-5(6)2-3-12-9(7)11/h2-4,13H,1H3
InChIKeySPQHIOXEOJVQQS-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.68
Rot. Bonds2

About methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate

methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate (PubChem CID 87288420) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
PubChem CID87288420
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Namemethyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c[nH]c2c(Br)nccc12
InChIInChI=1S/C10H7BrN2O3/c1-16-10(15)8(14)6-4-13-7-5(6)2-3-12-9(7)11/h2-4,13H,1H3
InChIKeySPQHIOXEOJVQQS-UHFFFAOYSA-N
XLogP1.68
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 142160233
methyl 2-(6-chloro-7-methyl-1H-indol-3-yl)-2-oxoacetate
CID 84742082
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472793
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
CID 87288277
CID 87288277
methyl 2-(2-bromophenyl)-2-oxoacetate
CID 10890094
3-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 137437152
methyl 2-oxo-2-(5-prop-2-ynoxy-1H-indol-3-yl)acetate
CID 15505469
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 53413147
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate (CID 87288420) is methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate is COC(=O)C(=O)c1c[nH]c2c(Br)nccc12.
What is the InChIKey of methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate?
The InChIKey is SPQHIOXEOJVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-16-10(15)8(14)6-4-13-7-5(6)2-3-12-9(7)11/h2-4,13H,1H3.
What are the key properties of methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate?
methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate has a molecular weight of 283.08 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate is sourced from PubChem (CID 87288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).