3-amino-4-fluoropyridine-2-carbonyl chloride

C6H4ClFN2O — CID 130807412

IUPAC3-amino-4-fluoropyridine-2-carbonyl chloride
SMILESNc1c(F)ccnc1C(=O)Cl
InChIInChI=1S/C6H4ClFN2O/c7-6(11)5-4(9)3(8)1-2-10-5/h1-2H,9H2
InChIKeyGRBUNIOQKHAUMK-UHFFFAOYSA-N
MW174.56 g/mol
LogP1.18
Rot. Bonds1

About 3-amino-4-fluoropyridine-2-carbonyl chloride

3-amino-4-fluoropyridine-2-carbonyl chloride (PubChem CID 130807412) has the molecular formula C6H4ClFN2O and a molecular weight of 174.56 g/mol. Its IUPAC name is 3-amino-4-fluoropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-amino-4-fluoropyridine-2-carbonyl chloride
PubChem CID130807412
Molecular FormulaC6H4ClFN2O
Molecular Weight174.56 g/mol
Exact Mass174.00
IUPAC Name3-amino-4-fluoropyridine-2-carbonyl chloride
SMILESNc1c(F)ccnc1C(=O)Cl
InChIInChI=1S/C6H4ClFN2O/c7-6(11)5-4(9)3(8)1-2-10-5/h1-2H,9H2
InChIKeyGRBUNIOQKHAUMK-UHFFFAOYSA-N
XLogP1.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.56
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-fluoropyridine-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoropyridine-2-carbonyl chloride?
The IUPAC name of 3-amino-4-fluoropyridine-2-carbonyl chloride (CID 130807412) is 3-amino-4-fluoropyridine-2-carbonyl chloride.
What is the SMILES notation for 3-amino-4-fluoropyridine-2-carbonyl chloride?
The canonical SMILES for 3-amino-4-fluoropyridine-2-carbonyl chloride is Nc1c(F)ccnc1C(=O)Cl.
What is the InChIKey of 3-amino-4-fluoropyridine-2-carbonyl chloride?
The InChIKey is GRBUNIOQKHAUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O/c7-6(11)5-4(9)3(8)1-2-10-5/h1-2H,9H2.
What are the key properties of 3-amino-4-fluoropyridine-2-carbonyl chloride?
3-amino-4-fluoropyridine-2-carbonyl chloride has a molecular weight of 174.56 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoropyridine-2-carbonyl chloride is sourced from PubChem (CID 130807412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).