5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one

C10H13BrN2O — CID 102819741

IUPAC5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1C[C@@H]1CCCN1
InChIInChI=1S/C10H13BrN2O/c11-8-3-4-10(14)13(6-8)7-9-2-1-5-12-9/h3-4,6,9,12H,1-2,5,7H2/t9-/m0/s1
InChIKeyRXVVEQKUAYOAPH-VIFPVBQESA-N
MW257.13 g/mol
LogP1.36
Rot. Bonds2

About 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one

5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one (PubChem CID 102819741) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
PubChem CID102819741
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1C[C@@H]1CCCN1
InChIInChI=1S/C10H13BrN2O/c11-8-3-4-10(14)13(6-8)7-9-2-1-5-12-9/h3-4,6,9,12H,1-2,5,7H2/t9-/m0/s1
InChIKeyRXVVEQKUAYOAPH-VIFPVBQESA-N
XLogP1.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223794
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
3-[[(2S)-pyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102819743
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
3-(4-bromophenyl)prop-2-enoic acid;1-(pyrrolidin-2-ylmethyl)piperidine
CID 69356502
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one (CID 102819741) is 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one is O=c1ccc(Br)cn1C[C@@H]1CCCN1.
What is the InChIKey of 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one?
The InChIKey is RXVVEQKUAYOAPH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-3-4-10(14)13(6-8)7-9-2-1-5-12-9/h3-4,6,9,12H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one?
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one has a molecular weight of 257.13 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 102819741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).