6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid

C10H11FN4O4 — CID 71099567

IUPAC6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
SMILESNc1nc(N2CC[C@@H](F)C2)c(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN4O4/c11-5-1-2-14(4-5)9-6(10(16)17)3-7(15(18)19)8(12)13-9/h3,5H,1-2,4H2,(H2,12,13)(H,16,17)/t5-/m1/s1
InChIKeyOITFFSMHWOLIOR-RXMQYKEDSA-N
MW270.22 g/mol
LogP0.82
Rot. Bonds3

About 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid

6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid (PubChem CID 71099567) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
PubChem CID71099567
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
SMILESNc1nc(N2CC[C@@H](F)C2)c(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11FN4O4/c11-5-1-2-14(4-5)9-6(10(16)17)3-7(15(18)19)8(12)13-9/h3,5H,1-2,4H2,(H2,12,13)(H,16,17)/t5-/m1/s1
InChIKeyOITFFSMHWOLIOR-RXMQYKEDSA-N
XLogP0.82
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid (CID 71099567) is 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid is Nc1nc(N2CC[C@@H](F)C2)c(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid?
The InChIKey is OITFFSMHWOLIOR-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11FN4O4/c11-5-1-2-14(4-5)9-6(10(16)17)3-7(15(18)19)8(12)13-9/h3,5H,1-2,4H2,(H2,12,13)(H,16,17)/t5-/m1/s1.
What are the key properties of 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid?
6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid has a molecular weight of 270.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(3R)-3-fluoropyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 71099567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).