3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole

C13H14BrClN2O — CID 84646318

IUPAC3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole
SMILESCOc1ccc(Cl)c2c(Br)c(C3CCCN3)[nH]c12
InChIInChI=1S/C13H14BrClN2O/c1-18-9-5-4-7(15)10-11(14)12(17-13(9)10)8-3-2-6-16-8/h4-5,8,16-17H,2-3,6H2,1H3
InChIKeyRRXLNVBTGYDDGG-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.02
Rot. Bonds2

About 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole

3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole (PubChem CID 84646318) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole
PubChem CID84646318
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole
SMILESCOc1ccc(Cl)c2c(Br)c(C3CCCN3)[nH]c12
InChIInChI=1S/C13H14BrClN2O/c1-18-9-5-4-7(15)10-11(14)12(17-13(9)10)8-3-2-6-16-8/h4-5,8,16-17H,2-3,6H2,1H3
InChIKeyRRXLNVBTGYDDGG-UHFFFAOYSA-N
XLogP4.02
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole
CID 84646082
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84643966
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole?
The IUPAC name of 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole (CID 84646318) is 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole.
What is the SMILES notation for 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole?
The canonical SMILES for 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole is COc1ccc(Cl)c2c(Br)c(C3CCCN3)[nH]c12.
What is the InChIKey of 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole?
The InChIKey is RRXLNVBTGYDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-18-9-5-4-7(15)10-11(14)12(17-13(9)10)8-3-2-6-16-8/h4-5,8,16-17H,2-3,6H2,1H3.
What are the key properties of 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole?
3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole has a molecular weight of 329.63 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole is sourced from PubChem (CID 84646318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).