1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide

C10H11BrN4O3 — CID 103768234

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11BrN4O3/c11-7-3-8(15(17)18)10(13-4-7)14-2-1-6(5-14)9(12)16/h3-4,6H,1-2,5H2,(H2,12,16)
InChIKeyXUWVVLOVKMQVER-UHFFFAOYSA-N
MW315.13 g/mol
LogP1.06
Rot. Bonds3

About 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide

1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 103768234) has the molecular formula C10H11BrN4O3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID103768234
Molecular FormulaC10H11BrN4O3
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1
InChIInChI=1S/C10H11BrN4O3/c11-7-3-8(15(17)18)10(13-4-7)14-2-1-6(5-14)9(12)16/h3-4,6H,1-2,5H2,(H2,12,16)
InChIKeyXUWVVLOVKMQVER-UHFFFAOYSA-N
XLogP1.06
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
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

1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
CID 61297983
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpyrrolidin-3-amine
CID 113282049
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79919408
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
methyl 2-[1-(5-bromo-3-nitro-2-pyridinyl)piperidin-4-yl]-2-hydroxyacetate
CID 133398953
5-bromo-2-(4-ethylpiperidin-1-yl)-3-nitropyridine
CID 61421763
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
1-(5-bromo-3-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62664875
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide (CID 103768234) is 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is XUWVVLOVKMQVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O3/c11-7-3-8(15(17)18)10(13-4-7)14-2-1-6(5-14)9(12)16/h3-4,6H,1-2,5H2,(H2,12,16).
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide?
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 315.13 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103768234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).