5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide

C9H10BrN3O4 — CID 114194173

IUPAC5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide
SMILESCC(O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br
InChIInChI=1S/C9H10BrN3O4/c1-5(14)3-12-9(15)6-2-8(13(16)17)11-4-7(6)10/h2,4-5,14H,3H2,1H3,(H,12,15)
InChIKeyDJPWLJZNHLWRTF-UHFFFAOYSA-N
MW304.10 g/mol
LogP0.86
Rot. Bonds4

About 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide

5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide (PubChem CID 114194173) has the molecular formula C9H10BrN3O4 and a molecular weight of 304.10 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide
PubChem CID114194173
Molecular FormulaC9H10BrN3O4
Molecular Weight304.10 g/mol
Exact Mass302.99
IUPAC Name5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide
SMILESCC(O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br
InChIInChI=1S/C9H10BrN3O4/c1-5(14)3-12-9(15)6-2-8(13(16)17)11-4-7(6)10/h2,4-5,14H,3H2,1H3,(H,12,15)
InChIKeyDJPWLJZNHLWRTF-UHFFFAOYSA-N
XLogP0.86
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminobutyl)-5-bromo-2-nitropyridine-4-carboxamide
CID 114194617
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
2-ethylbutyl 5-bromo-2-nitropyridine-4-carboxylate
CID 114208675
2-bromo-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 107151855
5-bromo-N-morpholin-4-yl-2-nitropyridine-4-carboxamide
CID 114194317
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
CID 83032262
5-bromo-2-nitro-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 114194367
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
CID 114195860
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide (CID 114194173) is 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide is CC(O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br.
What is the InChIKey of 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide?
The InChIKey is DJPWLJZNHLWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O4/c1-5(14)3-12-9(15)6-2-8(13(16)17)11-4-7(6)10/h2,4-5,14H,3H2,1H3,(H,12,15).
What are the key properties of 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide?
5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide has a molecular weight of 304.10 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide is sourced from PubChem (CID 114194173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).