4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one

C10H11BrFN3O — CID 168660978

IUPAC4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncc(F)cc2Br)C1
InChIInChI=1S/C10H11BrFN3O/c11-8-2-7(12)4-14-10(8)15-5-6(3-13)1-9(15)16/h2,4,6H,1,3,5,13H2
InChIKeyDNJOCLZQRCBGGF-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.29
Rot. Bonds2

About 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168660978) has the molecular formula C10H11BrFN3O and a molecular weight of 288.12 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168660978
Molecular FormulaC10H11BrFN3O
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncc(F)cc2Br)C1
InChIInChI=1S/C10H11BrFN3O/c11-8-2-7(12)4-14-10(8)15-5-6(3-13)1-9(15)16/h2,4,6H,1,3,5,13H2
InChIKeyDNJOCLZQRCBGGF-UHFFFAOYSA-N
XLogP1.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168700882
4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
CID 168660952

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one (CID 168660978) is 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one is NCC1CC(=O)N(c2ncc(F)cc2Br)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is DNJOCLZQRCBGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O/c11-8-2-7(12)4-14-10(8)15-5-6(3-13)1-9(15)16/h2,4,6H,1,3,5,13H2.
What are the key properties of 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 288.12 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168660978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).