1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H10ClN3O5 — CID 3787240

IUPAC1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O5/c11-8-2-1-6(14(18)19)9(12-8)13-4-5(15)3-7(13)10(16)17/h1-2,5,7,15H,3-4H2,(H,16,17)
InChIKeyOKJUDFAWKRSCKE-UHFFFAOYSA-N
MW287.66 g/mol
LogP0.67
Rot. Bonds3

About 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 3787240) has the molecular formula C10H10ClN3O5 and a molecular weight of 287.66 g/mol. Its IUPAC name is 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID3787240
Molecular FormulaC10H10ClN3O5
Molecular Weight287.66 g/mol
Exact Mass287.03
IUPAC Name1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O5/c11-8-2-1-6(14(18)19)9(12-8)13-4-5(15)3-7(13)10(16)17/h1-2,5,7,15H,3-4H2,(H,16,17)
InChIKeyOKJUDFAWKRSCKE-UHFFFAOYSA-N
XLogP0.67
TPSA116.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 3787240) is 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OKJUDFAWKRSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O5/c11-8-2-1-6(14(18)19)9(12-8)13-4-5(15)3-7(13)10(16)17/h1-2,5,7,15H,3-4H2,(H,16,17).
What are the key properties of 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 287.66 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3787240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).