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

C10H10FN3O4 — CID 122058725

IUPAC1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10FN3O4/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)
InChIKeyUMPJZTYVNUIPTH-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.18
Rot. Bonds3

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

1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 122058725) has the molecular formula C10H10FN3O4 and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID122058725
Molecular FormulaC10H10FN3O4
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H10FN3O4/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)
InChIKeyUMPJZTYVNUIPTH-UHFFFAOYSA-N
XLogP1.18
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.18
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

(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965048
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
1-(5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 61147514
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 61230177
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
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
(2S)-1-(4-amino-5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059846
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 106748603
(2R)-1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 78922399
(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol;(3R)-1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 161147276
(3S)-1-(3-fluoro-5-nitro-2-pyridinyl)-3-methylpiperazine
CID 177354867

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 122058725) is 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ncc([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UMPJZTYVNUIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4/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).
What are the key properties of 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122058725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).