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

C10H12BrFN2 — CID 817395

IUPAC6-bromo-3-fluoro-2-piperidin-1-ylpyridine
SMILESFc1ccc(Br)nc1N1CCCCC1
InChIInChI=1S/C10H12BrFN2/c11-9-5-4-8(12)10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyHZDRAOCDOLOLMO-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.97
Rot. Bonds1

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

6-bromo-3-fluoro-2-piperidin-1-ylpyridine (PubChem CID 817395) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-piperidin-1-ylpyridine
PubChem CID817395
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name6-bromo-3-fluoro-2-piperidin-1-ylpyridine
SMILESFc1ccc(Br)nc1N1CCCCC1
InChIInChI=1S/C10H12BrFN2/c11-9-5-4-8(12)10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyHZDRAOCDOLOLMO-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.97
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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Related Compounds

6-chloro-3-fluoro-2-piperidin-1-ylpyridine
CID 123272498
5-bromo-2-chloro-3-piperidin-1-ylpyrazine
CID 135293554
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
3,5-dibromo-2-piperidin-1-ylpyrazine
CID 87370742
6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 168665697
2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
CID 25133120
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
CID 170319407
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
2-bromo-3-piperidin-1-ylpyrazine
CID 130118607
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-piperidin-1-ylpyridine?
The IUPAC name of 6-bromo-3-fluoro-2-piperidin-1-ylpyridine (CID 817395) is 6-bromo-3-fluoro-2-piperidin-1-ylpyridine.
What is the SMILES notation for 6-bromo-3-fluoro-2-piperidin-1-ylpyridine?
The canonical SMILES for 6-bromo-3-fluoro-2-piperidin-1-ylpyridine is Fc1ccc(Br)nc1N1CCCCC1.
What is the InChIKey of 6-bromo-3-fluoro-2-piperidin-1-ylpyridine?
The InChIKey is HZDRAOCDOLOLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/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-bromo-3-fluoro-2-piperidin-1-ylpyridine?
6-bromo-3-fluoro-2-piperidin-1-ylpyridine has a molecular weight of 259.12 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-piperidin-1-ylpyridine is sourced from PubChem (CID 817395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).