5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine

C17H20Br2FN3O — CID 159099141

IUPAC5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
SMILESBrc1ccc(OCCN2CCCCC2)nc1.Fc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O.C5H3BrFN/c13-11-4-5-12(14-10-11)16-9-8-15-6-2-1-3-7-15;6-4-1-2-5(7)8-3-4/h4-5,10H,1-3,6-9H2;1-3H
InChIKeyKDBAHSHDZYZZAK-UHFFFAOYSA-N
MW461.17 g/mol
LogP4.69
Rot. Bonds4

About 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine

5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine (PubChem CID 159099141) has the molecular formula C17H20Br2FN3O and a molecular weight of 461.17 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
PubChem CID159099141
Molecular FormulaC17H20Br2FN3O
Molecular Weight461.17 g/mol
Exact Mass459.00
IUPAC Name5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
SMILESBrc1ccc(OCCN2CCCCC2)nc1.Fc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O.C5H3BrFN/c13-11-4-5-12(14-10-11)16-9-8-15-6-2-1-3-7-15;6-4-1-2-5(7)8-3-4/h4-5,10H,1-3,6-9H2;1-3H
InChIKeyKDBAHSHDZYZZAK-UHFFFAOYSA-N
XLogP4.69
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118665090
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60878304
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
CID 169002752
4,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)acridine
CID 20553499
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine
CID 146171639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine?
The IUPAC name of 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine (CID 159099141) is 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine.
What is the SMILES notation for 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine?
The canonical SMILES for 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine is Brc1ccc(OCCN2CCCCC2)nc1.Fc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine?
The InChIKey is KDBAHSHDZYZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O.C5H3BrFN/c13-11-4-5-12(14-10-11)16-9-8-15-6-2-1-3-7-15;6-4-1-2-5(7)8-3-4/h4-5,10H,1-3,6-9H2;1-3H.
What are the key properties of 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine?
5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine has a molecular weight of 461.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine is sourced from PubChem (CID 159099141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).