2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid

C11H11FN2O2 — CID 105382661

IUPAC2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CC=CC2)c1F
InChIInChI=1S/C11H11FN2O2/c12-9-8(11(15)16)5-6-13-10(9)14-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,13,14)(H,15,16)
InChIKeyNWWXYNLFQIIHKL-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.05
Rot. Bonds3

About 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid

2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382661) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382661
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CC=CC2)c1F
InChIInChI=1S/C11H11FN2O2/c12-9-8(11(15)16)5-6-13-10(9)14-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,13,14)(H,15,16)
InChIKeyNWWXYNLFQIIHKL-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid (CID 105382661) is 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2CC=CC2)c1F.
What is the InChIKey of 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is NWWXYNLFQIIHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-8(11(15)16)5-6-13-10(9)14-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid?
2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).