6-chloro-3-fluoro-2-piperidin-1-ylpyridine

C10H12ClFN2 — CID 123272498

IUPAC6-chloro-3-fluoro-2-piperidin-1-ylpyridine
SMILESFc1ccc(Cl)nc1N1CCCCC1
InChIInChI=1S/C10H12ClFN2/c11-9-5-4-8(12)10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyJQZXLPYECGZAJO-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.86
Rot. Bonds1

About 6-chloro-3-fluoro-2-piperidin-1-ylpyridine

6-chloro-3-fluoro-2-piperidin-1-ylpyridine (PubChem CID 123272498) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name6-chloro-3-fluoro-2-piperidin-1-ylpyridine
PubChem CID123272498
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name6-chloro-3-fluoro-2-piperidin-1-ylpyridine
SMILESFc1ccc(Cl)nc1N1CCCCC1
InChIInChI=1S/C10H12ClFN2/c11-9-5-4-8(12)10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyJQZXLPYECGZAJO-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.86
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 6-chloro-3-fluoro-2-piperidin-1-ylpyridine?
The IUPAC name of 6-chloro-3-fluoro-2-piperidin-1-ylpyridine (CID 123272498) is 6-chloro-3-fluoro-2-piperidin-1-ylpyridine.
What is the SMILES notation for 6-chloro-3-fluoro-2-piperidin-1-ylpyridine?
The canonical SMILES for 6-chloro-3-fluoro-2-piperidin-1-ylpyridine is Fc1ccc(Cl)nc1N1CCCCC1.
What is the InChIKey of 6-chloro-3-fluoro-2-piperidin-1-ylpyridine?
The InChIKey is JQZXLPYECGZAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-9-5-4-8(12)10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2.
What are the key properties of 6-chloro-3-fluoro-2-piperidin-1-ylpyridine?
6-chloro-3-fluoro-2-piperidin-1-ylpyridine has a molecular weight of 214.67 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2-piperidin-1-ylpyridine is sourced from PubChem (CID 123272498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).