methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate

C9H7BrN2O2 — CID 71472793

IUPACmethyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nccc2c(Br)c[nH]c12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)8-7-5(2-3-11-8)6(10)4-12-7/h2-4,12H,1H3
InChIKeyUEVFZILKVVSCSK-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.11
Rot. Bonds1

About methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate

methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate (PubChem CID 71472793) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
PubChem CID71472793
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Namemethyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nccc2c(Br)c[nH]c12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)8-7-5(2-3-11-8)6(10)4-12-7/h2-4,12H,1H3
InChIKeyUEVFZILKVVSCSK-UHFFFAOYSA-N
XLogP2.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 137437152
methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
CID 87288420
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 174253439
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
methyl 7-bromo-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 138111834
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 5-methyl-3-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472796
methyl 5-cyanoisoquinoline-1-carboxylate
CID 82572062
methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
CID 176920492
methyl 8-amino-5-fluoroisoquinoline-1-carboxylate
CID 82572045
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate (CID 71472793) is methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate is COC(=O)c1nccc2c(Br)c[nH]c12.
What is the InChIKey of methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The InChIKey is UEVFZILKVVSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)8-7-5(2-3-11-8)6(10)4-12-7/h2-4,12H,1H3.
What are the key properties of methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate has a molecular weight of 255.07 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 71472793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).