6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride

C8H8ClFN2O — CID 86714574

IUPAC6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride
SMILESCCNc1nc(Cl)ccc1C(=O)F
InChIInChI=1S/C8H8ClFN2O/c1-2-11-8-5(7(10)13)3-4-6(9)12-8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyAWDGTGJSUKXFHC-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.28
Rot. Bonds3

About 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride

6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride (PubChem CID 86714574) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride.

Molecular Properties

Compound Name6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride
PubChem CID86714574
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride
SMILESCCNc1nc(Cl)ccc1C(=O)F
InChIInChI=1S/C8H8ClFN2O/c1-2-11-8-5(7(10)13)3-4-6(9)12-8/h3-4H,2H2,1H3,(H,11,12)
InChIKeyAWDGTGJSUKXFHC-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.28
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 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride?
The IUPAC name of 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride (CID 86714574) is 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride.
What is the SMILES notation for 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride?
The canonical SMILES for 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride is CCNc1nc(Cl)ccc1C(=O)F.
What is the InChIKey of 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride?
The InChIKey is AWDGTGJSUKXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c1-2-11-8-5(7(10)13)3-4-6(9)12-8/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride?
6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride has a molecular weight of 202.62 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethylamino)pyridine-3-carbonyl fluoride is sourced from PubChem (CID 86714574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).