3-chloro-4-ethynyl-2-fluoropyridine

C7H3ClFN — CID 74891515

IUPAC3-chloro-4-ethynyl-2-fluoropyridine
SMILESC#Cc1ccnc(F)c1Cl
InChIInChI=1S/C7H3ClFN/c1-2-5-3-4-10-7(9)6(5)8/h1,3-4H
InChIKeyCTXFHMIVJVASDB-UHFFFAOYSA-N
MW155.56 g/mol
LogP1.86
Rot. Bonds

About 3-chloro-4-ethynyl-2-fluoropyridine

3-chloro-4-ethynyl-2-fluoropyridine (PubChem CID 74891515) has the molecular formula C7H3ClFN and a molecular weight of 155.56 g/mol. Its IUPAC name is 3-chloro-4-ethynyl-2-fluoropyridine.

Molecular Properties

Compound Name3-chloro-4-ethynyl-2-fluoropyridine
PubChem CID74891515
Molecular FormulaC7H3ClFN
Molecular Weight155.56 g/mol
Exact Mass154.99
IUPAC Name3-chloro-4-ethynyl-2-fluoropyridine
SMILESC#Cc1ccnc(F)c1Cl
InChIInChI=1S/C7H3ClFN/c1-2-5-3-4-10-7(9)6(5)8/h1,3-4H
InChIKeyCTXFHMIVJVASDB-UHFFFAOYSA-N
XLogP1.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.56
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethynyl-2-fluoropyridine?
The IUPAC name of 3-chloro-4-ethynyl-2-fluoropyridine (CID 74891515) is 3-chloro-4-ethynyl-2-fluoropyridine.
What is the SMILES notation for 3-chloro-4-ethynyl-2-fluoropyridine?
The canonical SMILES for 3-chloro-4-ethynyl-2-fluoropyridine is C#Cc1ccnc(F)c1Cl.
What is the InChIKey of 3-chloro-4-ethynyl-2-fluoropyridine?
The InChIKey is CTXFHMIVJVASDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN/c1-2-5-3-4-10-7(9)6(5)8/h1,3-4H.
What are the key properties of 3-chloro-4-ethynyl-2-fluoropyridine?
3-chloro-4-ethynyl-2-fluoropyridine has a molecular weight of 155.56 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethynyl-2-fluoropyridine is sourced from PubChem (CID 74891515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).