(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C12H15BrN2O2 — CID 64598733

IUPAC(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O2/c1-17-8-9-2-3-15(7-9)12(16)10-4-11(13)6-14-5-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeyOYVNDKJSMJYXPF-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.95
Rot. Bonds3

About (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 64598733) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID64598733
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O2/c1-17-8-9-2-3-15(7-9)12(16)10-4-11(13)6-14-5-10/h4-6,9H,2-3,7-8H2,1H3
InChIKeyOYVNDKJSMJYXPF-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119541646
methyl 2-[1-(5-bromopyridine-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264281
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
(5-bromo-3-pyridinyl)-[(3R)-3-tert-butylsulfanylpyrrolidin-1-yl]methanone
CID 97427208
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 64598733) is (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2cncc(Br)c2)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OYVNDKJSMJYXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-8-9-2-3-15(7-9)12(16)10-4-11(13)6-14-5-10/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 64598733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).