2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide

C14H8BrN3O3 — CID 103753980

IUPAC2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)c3cccnc3Br)ccc21
InChIInChI=1S/C14H8BrN3O3/c15-11-9(2-1-5-16-11)13(20)17-7-3-4-8-10(6-7)14(21)18-12(8)19/h1-6H,(H,17,20)(H,18,19,21)
InChIKeyRUQKAXAZZUQCOL-UHFFFAOYSA-N
MW346.14 g/mol
LogP1.98
Rot. Bonds2

About 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide

2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide (PubChem CID 103753980) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
PubChem CID103753980
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide
SMILESO=C1NC(=O)c2cc(NC(=O)c3cccnc3Br)ccc21
InChIInChI=1S/C14H8BrN3O3/c15-11-9(2-1-5-16-11)13(20)17-7-3-4-8-10(6-7)14(21)18-12(8)19/h1-6H,(H,17,20)(H,18,19,21)
InChIKeyRUQKAXAZZUQCOL-UHFFFAOYSA-N
XLogP1.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
5-[(3-bromo-2-pyridinyl)amino]isoindole-1,3-dione
CID 61374663
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662492
2-fluoro-N-(1,3,4-trioxoisoquinolin-7-yl)benzamide
CID 58662508
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide (CID 103753980) is 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide is O=C1NC(=O)c2cc(NC(=O)c3cccnc3Br)ccc21.
What is the InChIKey of 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide?
The InChIKey is RUQKAXAZZUQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/c15-11-9(2-1-5-16-11)13(20)17-7-3-4-8-10(6-7)14(21)18-12(8)19/h1-6H,(H,17,20)(H,18,19,21).
What are the key properties of 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide?
2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide has a molecular weight of 346.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-dioxoisoindol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103753980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).