1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid

C10H11N3O4 — CID 43114072

IUPAC1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c14-10(15)8-2-1-5-12(8)7-3-4-11-6-9(7)13(16)17/h3-4,6,8H,1-2,5H2,(H,14,15)
InChIKeyWQXYRGXPFXJHMA-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.04
Rot. Bonds3

About 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid

1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 43114072) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID43114072
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c14-10(15)8-2-1-5-12(8)7-3-4-11-6-9(7)13(16)17/h3-4,6,8H,1-2,5H2,(H,14,15)
InChIKeyWQXYRGXPFXJHMA-UHFFFAOYSA-N
XLogP1.04
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.04
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-nitro-4-pyridinyl)piperidine-2-carboxylic acid
CID 43114074
[1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanol
CID 61146528
2-methyl-2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 83199130
1-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 19624574
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 106748603
2-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63904871
1-(5-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113315902
(2S)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 26598161
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid (CID 43114072) is 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccncc1[N+](=O)[O-].
What is the InChIKey of 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WQXYRGXPFXJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-10(15)8-2-1-5-12(8)7-3-4-11-6-9(7)13(16)17/h3-4,6,8H,1-2,5H2,(H,14,15).
What are the key properties of 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43114072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).