4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile

C11H11BrN4O2 — CID 168663422

IUPAC4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(N2CC(CO)CC2=O)nc1Br
InChIInChI=1S/C11H11BrN4O2/c12-11-7(3-13)8(14)2-9(15-11)16-4-6(5-17)1-10(16)18/h2,6,17H,1,4-5H2,(H2,14,15)
InChIKeyYLPUYJGHINQVNE-UHFFFAOYSA-N
MW311.14 g/mol
LogP0.64
Rot. Bonds2

About 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile

4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 168663422) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID168663422
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(N2CC(CO)CC2=O)nc1Br
InChIInChI=1S/C11H11BrN4O2/c12-11-7(3-13)8(14)2-9(15-11)16-4-6(5-17)1-10(16)18/h2,6,17H,1,4-5H2,(H2,14,15)
InChIKeyYLPUYJGHINQVNE-UHFFFAOYSA-N
XLogP0.64
TPSA103.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682382
S-[[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668057
4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 168689032
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663615
1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663363
1-(6-amino-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664121
1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664180
5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
CID 168662914
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 168662736
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(4-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664302
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile (CID 168663422) is 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1c(N)cc(N2CC(CO)CC2=O)nc1Br.
What is the InChIKey of 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YLPUYJGHINQVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-11-7(3-13)8(14)2-9(15-11)16-4-6(5-17)1-10(16)18/h2,6,17H,1,4-5H2,(H2,14,15).
What are the key properties of 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile?
4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 311.14 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 168663422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).