(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

C10H10BrN3O4 — CID 120965048

IUPAC(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H10BrN3O4/c11-7-4-6(14(17)18)5-12-9(7)13-3-1-2-8(13)10(15)16/h4-5,8H,1-3H2,(H,15,16)/t8-/m1/s1
InChIKeyUKJFLZILXMEIDA-MRVPVSSYSA-N
MW316.11 g/mol
LogP1.81
Rot. Bonds3

About (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 120965048) has the molecular formula C10H10BrN3O4 and a molecular weight of 316.11 g/mol. Its IUPAC name is (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID120965048
Molecular FormulaC10H10BrN3O4
Molecular Weight316.11 g/mol
Exact Mass314.99
IUPAC Name(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H10BrN3O4/c11-7-4-6(14(17)18)5-12-9(7)13-3-1-2-8(13)10(15)16/h4-5,8H,1-3H2,(H,15,16)/t8-/m1/s1
InChIKeyUKJFLZILXMEIDA-MRVPVSSYSA-N
XLogP1.81
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 51.81
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-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058725
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 61230177
1-(5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 61147514
2-(3-bromo-5-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892213
[1-(3-bromo-5-nitro-2-pyridinyl)piperidin-2-yl]methanol
CID 79523718
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
CID 79523536
1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 15740880
1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 123766281
2-[4-(3-bromo-5-nitro-2-pyridinyl)piperazin-1-yl]acetic acid
CID 79535035
3-bromo-2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-5-nitropyridine
CID 133395997
1-(3-bromo-5-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 120965048) is (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UKJFLZILXMEIDA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10BrN3O4/c11-7-4-6(14(17)18)5-12-9(7)13-3-1-2-8(13)10(15)16/h4-5,8H,1-3H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 316.11 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120965048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).