5-amino-6-fluoropyridine-3-carbonyl chloride

C6H4ClFN2O — CID 130865636

IUPAC5-amino-6-fluoropyridine-3-carbonyl chloride
SMILESNc1cc(C(=O)Cl)cnc1F
InChIInChI=1S/C6H4ClFN2O/c7-5(11)3-1-4(9)6(8)10-2-3/h1-2H,9H2
InChIKeyGGEHSRYWQYVFIB-UHFFFAOYSA-N
MW174.56 g/mol
LogP1.18
Rot. Bonds1

About 5-amino-6-fluoropyridine-3-carbonyl chloride

5-amino-6-fluoropyridine-3-carbonyl chloride (PubChem CID 130865636) has the molecular formula C6H4ClFN2O and a molecular weight of 174.56 g/mol. Its IUPAC name is 5-amino-6-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-amino-6-fluoropyridine-3-carbonyl chloride
PubChem CID130865636
Molecular FormulaC6H4ClFN2O
Molecular Weight174.56 g/mol
Exact Mass174.00
IUPAC Name5-amino-6-fluoropyridine-3-carbonyl chloride
SMILESNc1cc(C(=O)Cl)cnc1F
InChIInChI=1S/C6H4ClFN2O/c7-5(11)3-1-4(9)6(8)10-2-3/h1-2H,9H2
InChIKeyGGEHSRYWQYVFIB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 5-amino-6-fluoropyridine-3-carbonyl chloride (CID 130865636) is 5-amino-6-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 5-amino-6-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 5-amino-6-fluoropyridine-3-carbonyl chloride is Nc1cc(C(=O)Cl)cnc1F.
What is the InChIKey of 5-amino-6-fluoropyridine-3-carbonyl chloride?
The InChIKey is GGEHSRYWQYVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O/c7-5(11)3-1-4(9)6(8)10-2-3/h1-2H,9H2.
What are the key properties of 5-amino-6-fluoropyridine-3-carbonyl chloride?
5-amino-6-fluoropyridine-3-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 5-amino-6-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 130865636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).