4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile

C10H8BrClN4O — CID 168689032

IUPAC4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(N2CC(Cl)CC2=O)nc1Br
InChIInChI=1S/C10H8BrClN4O/c11-10-6(3-13)7(14)2-8(15-10)16-4-5(12)1-9(16)17/h2,5H,1,4H2,(H2,14,15)
InChIKeyRWAJKIKQVIYFCX-UHFFFAOYSA-N
MW315.56 g/mol
LogP1.64
Rot. Bonds1

About 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile

4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 168689032) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID168689032
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(N2CC(Cl)CC2=O)nc1Br
InChIInChI=1S/C10H8BrClN4O/c11-10-6(3-13)7(14)2-8(15-10)16-4-5(12)1-9(16)17/h2,5H,1,4H2,(H2,14,15)
InChIKeyRWAJKIKQVIYFCX-UHFFFAOYSA-N
XLogP1.64
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663422
[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
1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168689770
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168689640
1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
CID 168689527
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
1-(2-amino-4,5-dichlorophenyl)-4-chloropyrrolidin-2-one
CID 168688969
1-(2-bromo-5-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688119
5-(4-chloro-2-oxopyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
CID 168688855
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile (CID 168689032) is 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile is N#Cc1c(N)cc(N2CC(Cl)CC2=O)nc1Br.
What is the InChIKey of 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is RWAJKIKQVIYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-10-6(3-13)7(14)2-8(15-10)16-4-5(12)1-9(16)17/h2,5H,1,4H2,(H2,14,15).
What are the key properties of 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile?
4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 315.56 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 168689032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).