3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine

C10H10BrF2N5 — CID 177342514

IUPAC3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine
SMILES[N-]=[N+]=Nc1ccc(Br)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H10BrF2N5/c11-8-2-1-7(16-17-14)9(15-8)18-5-3-10(12,13)4-6-18/h1-2H,3-6H2
InChIKeyFYYGHYYRRHPKNZ-UHFFFAOYSA-N
MW318.13 g/mol
LogP4.02
Rot. Bonds2

About 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine

3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine (PubChem CID 177342514) has the molecular formula C10H10BrF2N5 and a molecular weight of 318.13 g/mol. Its IUPAC name is 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine
PubChem CID177342514
Molecular FormulaC10H10BrF2N5
Molecular Weight318.13 g/mol
Exact Mass317.01
IUPAC Name3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine
SMILES[N-]=[N+]=Nc1ccc(Br)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H10BrF2N5/c11-8-2-1-7(16-17-14)9(15-8)18-5-3-10(12,13)4-6-18/h1-2H,3-6H2
InChIKeyFYYGHYYRRHPKNZ-UHFFFAOYSA-N
XLogP4.02
TPSA64.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-azido-2-(4,4-difluoropiperidin-1-yl)-3-fluoropyridine
CID 170373721
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
CID 167713490
6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine
CID 170783971
6-bromo-3-fluoro-2-piperidin-1-ylpyridine
CID 817395
1-[3-bromo-6-(trifluoromethyl)-2-pyridinyl]-4,4-difluoroazepane
CID 169249579
6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine
CID 168665704
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
N-[[6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
CID 168665689
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 167713998

Frequently Asked Questions

What is the IUPAC name of 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine?
The IUPAC name of 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine (CID 177342514) is 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine.
What is the SMILES notation for 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine?
The canonical SMILES for 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine is [N-]=[N+]=Nc1ccc(Br)nc1N1CCC(F)(F)CC1.
What is the InChIKey of 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine?
The InChIKey is FYYGHYYRRHPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N5/c11-8-2-1-7(16-17-14)9(15-8)18-5-3-10(12,13)4-6-18/h1-2H,3-6H2.
What are the key properties of 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine?
3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine has a molecular weight of 318.13 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine is sourced from PubChem (CID 177342514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).