2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide

C10H10BrN3O — CID 146283903

IUPAC2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ccc2c(Br)nccc21
InChIInChI=1S/C10H10BrN3O/c1-12-9(15)6-14-5-3-7-8(14)2-4-13-10(7)11/h2-5H,6H2,1H3,(H,12,15)
InChIKeyNUOKMOKUWUKYSE-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.54
Rot. Bonds2

About 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide

2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide (PubChem CID 146283903) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide
PubChem CID146283903
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ccc2c(Br)nccc21
InChIInChI=1S/C10H10BrN3O/c1-12-9(15)6-14-5-3-7-8(14)2-4-13-10(7)11/h2-5H,6H2,1H3,(H,12,15)
InChIKeyNUOKMOKUWUKYSE-UHFFFAOYSA-N
XLogP1.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
4-bromo-1-(2,2-difluoro-3-methylbutyl)pyrrolo[3,2-c]pyridine
CID 146288288
4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine
CID 146288174
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
4-bromo-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridine;ethane;thiohypoiodous acid
CID 153376848
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 39334901
N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 20667794
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-methyl-2-(5-nitroindol-1-yl)acetamide
CID 47460620

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide (CID 146283903) is 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide is CNC(=O)Cn1ccc2c(Br)nccc21.
What is the InChIKey of 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide?
The InChIKey is NUOKMOKUWUKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-12-9(15)6-14-5-3-7-8(14)2-4-13-10(7)11/h2-5H,6H2,1H3,(H,12,15).
What are the key properties of 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide?
2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide has a molecular weight of 268.11 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrrolo[3,2-c]pyridin-1-yl)-N-methylacetamide is sourced from PubChem (CID 146283903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).