3-cyano-4-fluoropyridine-2-carbonyl chloride

C7H2ClFN2O — CID 131009343

IUPAC3-cyano-4-fluoropyridine-2-carbonyl chloride
SMILESN#Cc1c(F)ccnc1C(=O)Cl
InChIInChI=1S/C7H2ClFN2O/c8-7(12)6-4(3-10)5(9)1-2-11-6/h1-2H
InChIKeyJURZUAJTFRXJOU-UHFFFAOYSA-N
MW184.56 g/mol
LogP1.47
Rot. Bonds1

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

3-cyano-4-fluoropyridine-2-carbonyl chloride (PubChem CID 131009343) has the molecular formula C7H2ClFN2O and a molecular weight of 184.56 g/mol. Its IUPAC name is 3-cyano-4-fluoropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-cyano-4-fluoropyridine-2-carbonyl chloride
PubChem CID131009343
Molecular FormulaC7H2ClFN2O
Molecular Weight184.56 g/mol
Exact Mass183.98
IUPAC Name3-cyano-4-fluoropyridine-2-carbonyl chloride
SMILESN#Cc1c(F)ccnc1C(=O)Cl
InChIInChI=1S/C7H2ClFN2O/c8-7(12)6-4(3-10)5(9)1-2-11-6/h1-2H
InChIKeyJURZUAJTFRXJOU-UHFFFAOYSA-N
XLogP1.47
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.56
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoropyridine-2-carbonyl chloride?
The IUPAC name of 3-cyano-4-fluoropyridine-2-carbonyl chloride (CID 131009343) is 3-cyano-4-fluoropyridine-2-carbonyl chloride.
What is the SMILES notation for 3-cyano-4-fluoropyridine-2-carbonyl chloride?
The canonical SMILES for 3-cyano-4-fluoropyridine-2-carbonyl chloride is N#Cc1c(F)ccnc1C(=O)Cl.
What is the InChIKey of 3-cyano-4-fluoropyridine-2-carbonyl chloride?
The InChIKey is JURZUAJTFRXJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClFN2O/c8-7(12)6-4(3-10)5(9)1-2-11-6/h1-2H.
What are the key properties of 3-cyano-4-fluoropyridine-2-carbonyl chloride?
3-cyano-4-fluoropyridine-2-carbonyl chloride has a molecular weight of 184.56 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoropyridine-2-carbonyl chloride is sourced from PubChem (CID 131009343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).