5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine

C18H21BrN2O2 — CID 178070910

IUPAC5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine
SMILESCOc1ccc(COCc2ncc(Br)cc2N2CCCC2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-22-16-6-4-14(5-7-16)12-23-13-17-18(10-15(19)11-20-17)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12-13H2,1H3
InChIKeyBHXOUCFLUCFWQG-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.17
Rot. Bonds6

About 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine

5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine (PubChem CID 178070910) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine
PubChem CID178070910
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine
SMILESCOc1ccc(COCc2ncc(Br)cc2N2CCCC2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-22-16-6-4-14(5-7-16)12-23-13-17-18(10-15(19)11-20-17)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12-13H2,1H3
InChIKeyBHXOUCFLUCFWQG-UHFFFAOYSA-N
XLogP4.17
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
CID 59548291
5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile
CID 163208906
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
3-bromo-5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazole
CID 135124741
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
3-bromo-6-[(4-methoxyphenyl)methyl]-5,5-dimethylpyrrolo[3,4-b]pyridin-7-one
CID 167350481
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
3-bromo-7-methoxyquinoline
CID 18788548
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine (CID 178070910) is 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine is COc1ccc(COCc2ncc(Br)cc2N2CCCC2)cc1.
What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine?
The InChIKey is BHXOUCFLUCFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-22-16-6-4-14(5-7-16)12-23-13-17-18(10-15(19)11-20-17)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12-13H2,1H3.
What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine?
5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine has a molecular weight of 377.28 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxyphenyl)methoxymethyl]-3-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 178070910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).