2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid

C10H11FN2O3 — CID 67998009

IUPAC2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccnc(F)c1)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-10(2,9(15)16)13-8(14)6-3-4-12-7(11)5-6/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyYYBXHQSULMAIOZ-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.81
Rot. Bonds3

About 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid

2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 67998009) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID67998009
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccnc(F)c1)C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-10(2,9(15)16)13-8(14)6-3-4-12-7(11)5-6/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyYYBXHQSULMAIOZ-UHFFFAOYSA-N
XLogP0.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 67998009) is 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccnc(F)c1)C(=O)O.
What is the InChIKey of 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is YYBXHQSULMAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-10(2,9(15)16)13-8(14)6-3-4-12-7(11)5-6/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 226.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoropyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 67998009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).