3-(5-chloro-2-pyridinyl)-2-fluoropyridine

C10H6ClFN2 — CID 42553024

IUPAC3-(5-chloro-2-pyridinyl)-2-fluoropyridine
SMILESFc1ncccc1-c1ccc(Cl)cn1
InChIInChI=1S/C10H6ClFN2/c11-7-3-4-9(14-6-7)8-2-1-5-13-10(8)12/h1-6H
InChIKeySYJPQVCWWIZERQ-UHFFFAOYSA-N
MW208.62 g/mol
LogP2.94
Rot. Bonds1

About 3-(5-chloro-2-pyridinyl)-2-fluoropyridine

3-(5-chloro-2-pyridinyl)-2-fluoropyridine (PubChem CID 42553024) has the molecular formula C10H6ClFN2 and a molecular weight of 208.62 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-2-fluoropyridine.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-2-fluoropyridine
PubChem CID42553024
Molecular FormulaC10H6ClFN2
Molecular Weight208.62 g/mol
Exact Mass208.02
IUPAC Name3-(5-chloro-2-pyridinyl)-2-fluoropyridine
SMILESFc1ncccc1-c1ccc(Cl)cn1
InChIInChI=1S/C10H6ClFN2/c11-7-3-4-9(14-6-7)8-2-1-5-13-10(8)12/h1-6H
InChIKeySYJPQVCWWIZERQ-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-2-fluoropyridine?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-2-fluoropyridine (CID 42553024) is 3-(5-chloro-2-pyridinyl)-2-fluoropyridine.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-2-fluoropyridine?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-2-fluoropyridine is Fc1ncccc1-c1ccc(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-2-fluoropyridine?
The InChIKey is SYJPQVCWWIZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2/c11-7-3-4-9(14-6-7)8-2-1-5-13-10(8)12/h1-6H.
What are the key properties of 3-(5-chloro-2-pyridinyl)-2-fluoropyridine?
3-(5-chloro-2-pyridinyl)-2-fluoropyridine has a molecular weight of 208.62 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-2-fluoropyridine is sourced from PubChem (CID 42553024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).