[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

C14H17BrFN3O2 — CID 163343648

IUPAC[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ncc(Br)cc2F)CCO1)N1CCCC1
InChIInChI=1S/C14H17BrFN3O2/c15-10-7-11(16)13(17-8-10)19-5-6-21-12(9-19)14(20)18-3-1-2-4-18/h7-8,12H,1-6,9H2
InChIKeyYTQNOQSPCMNZOP-UHFFFAOYSA-N
MW358.21 g/mol
LogP1.81
Rot. Bonds2

About [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 163343648) has the molecular formula C14H17BrFN3O2 and a molecular weight of 358.21 g/mol. Its IUPAC name is [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID163343648
Molecular FormulaC14H17BrFN3O2
Molecular Weight358.21 g/mol
Exact Mass357.05
IUPAC Name[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ncc(Br)cc2F)CCO1)N1CCCC1
InChIInChI=1S/C14H17BrFN3O2/c15-10-7-11(16)13(17-8-10)19-5-6-21-12(9-19)14(20)18-3-1-2-4-18/h7-8,12H,1-6,9H2
InChIKeyYTQNOQSPCMNZOP-UHFFFAOYSA-N
XLogP1.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 163343648) is [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2ncc(Br)cc2F)CCO1)N1CCCC1.
What is the InChIKey of [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YTQNOQSPCMNZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2/c15-10-7-11(16)13(17-8-10)19-5-6-21-12(9-19)14(20)18-3-1-2-4-18/h7-8,12H,1-6,9H2.
What are the key properties of [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 358.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163343648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).