2-amino-2-fluoro-1H-pyridine-4-carboxylic acid

C6H7FN2O2 — CID 67702250

IUPAC2-amino-2-fluoro-1H-pyridine-4-carboxylic acid
SMILESNC1(F)C=C(C(=O)O)C=CN1
InChIInChI=1S/C6H7FN2O2/c7-6(8)3-4(5(10)11)1-2-9-6/h1-3,9H,8H2,(H,10,11)
InChIKeyLKDOPINXKNOIKF-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.30
Rot. Bonds1

About 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid

2-amino-2-fluoro-1H-pyridine-4-carboxylic acid (PubChem CID 67702250) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-fluoro-1H-pyridine-4-carboxylic acid
PubChem CID67702250
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name2-amino-2-fluoro-1H-pyridine-4-carboxylic acid
SMILESNC1(F)C=C(C(=O)O)C=CN1
InChIInChI=1S/C6H7FN2O2/c7-6(8)3-4(5(10)11)1-2-9-6/h1-3,9H,8H2,(H,10,11)
InChIKeyLKDOPINXKNOIKF-UHFFFAOYSA-N
XLogP-0.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid (CID 67702250) is 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid is NC1(F)C=C(C(=O)O)C=CN1.
What is the InChIKey of 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid?
The InChIKey is LKDOPINXKNOIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-6(8)3-4(5(10)11)1-2-9-6/h1-3,9H,8H2,(H,10,11).
What are the key properties of 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid?
2-amino-2-fluoro-1H-pyridine-4-carboxylic acid has a molecular weight of 158.13 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-fluoro-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 67702250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).