2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide

C11H14BrN3O — CID 127266551

IUPAC2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESNC(=O)CC1CCN(c2ncccc2Br)C1
InChIInChI=1S/C11H14BrN3O/c12-9-2-1-4-14-11(9)15-5-3-8(7-15)6-10(13)16/h1-2,4,8H,3,5-7H2,(H2,13,16)
InChIKeyFWBMRPNJOPCWAY-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.55
Rot. Bonds3

About 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide

2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide (PubChem CID 127266551) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
PubChem CID127266551
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
SMILESNC(=O)CC1CCN(c2ncccc2Br)C1
InChIInChI=1S/C11H14BrN3O/c12-9-2-1-4-14-11(9)15-5-3-8(7-15)6-10(13)16/h1-2,4,8H,3,5-7H2,(H2,13,16)
InChIKeyFWBMRPNJOPCWAY-UHFFFAOYSA-N
XLogP1.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide (CID 127266551) is 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide is NC(=O)CC1CCN(c2ncccc2Br)C1.
What is the InChIKey of 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide?
The InChIKey is FWBMRPNJOPCWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-9-2-1-4-14-11(9)15-5-3-8(7-15)6-10(13)16/h1-2,4,8H,3,5-7H2,(H2,13,16).
What are the key properties of 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide?
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide has a molecular weight of 284.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 127266551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).