4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine

C12H13BrN2 — CID 146288174

IUPAC4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine
SMILESBrc1nccc2c1ccn2CCC1CC1
InChIInChI=1S/C12H13BrN2/c13-12-10-5-8-15(7-4-9-1-2-9)11(10)3-6-14-12/h3,5-6,8-9H,1-2,4,7H2
InChIKeyRRRPYMWMURIYSS-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.60
Rot. Bonds3

About 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine

4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine (PubChem CID 146288174) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine
PubChem CID146288174
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine
SMILESBrc1nccc2c1ccn2CCC1CC1
InChIInChI=1S/C12H13BrN2/c13-12-10-5-8-15(7-4-9-1-2-9)11(10)3-6-14-12/h3,5-6,8-9H,1-2,4,7H2
InChIKeyRRRPYMWMURIYSS-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridine;ethane;thiohypoiodous acid
CID 153376848
4-bromo-1-(2,2-difluoro-3-methylbutyl)pyrrolo[3,2-c]pyridine
CID 146288288
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
4-bromo-5-chloro-1-(2-piperidin-4-ylethyl)indole
CID 178026750
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
6,18-bis(3-cyclohexylpropyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783596
1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
CID 114015889
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096
1-(2-cyclopropylethyl)-4-methylpyrimidin-2-one
CID 130485291
1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574290
1-(2-cyclopropylethyl)-N-ethylimidazol-2-amine
CID 106575831
1-(2-cyclohexylethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11623393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine (CID 146288174) is 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine is Brc1nccc2c1ccn2CCC1CC1.
What is the InChIKey of 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is RRRPYMWMURIYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-12-10-5-8-15(7-4-9-1-2-9)11(10)3-6-14-12/h3,5-6,8-9H,1-2,4,7H2.
What are the key properties of 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine?
4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 265.15 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-cyclopropylethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 146288174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).