ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate

C10H9BrN2O2 — CID 135393217

IUPACethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(Br)cn12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-3-4-9-12-5-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKeyZLULEIWULSBAJF-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds2

About ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate

ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 135393217) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
PubChem CID135393217
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Nameethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(Br)cn12
InChIInChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-3-4-9-12-5-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKeyZLULEIWULSBAJF-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536
ethyl 6-iodoimidazo[1,2-a]pyridine-3-carboxylate
CID 69203579
ethyl 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-fluorobenzoate
CID 22032276
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 149302059
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
ethyl 3-(4-bromophenyl)triazole-4-carboxylate
CID 71266147
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate (CID 135393217) is ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1ccc2ncc(Br)cn12.
What is the InChIKey of ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is ZLULEIWULSBAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-3-4-9-12-5-7(11)6-13(8)9/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate?
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135393217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).