5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine

C11H14BrFN2 — CID 146171639

IUPAC5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine
SMILESFc1ncc(Br)cc1CN1CCCCC1
InChIInChI=1S/C11H14BrFN2/c12-10-6-9(11(13)14-7-10)8-15-4-2-1-3-5-15/h6-7H,1-5,8H2
InChIKeyVAKORACXRXJLQQ-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.97
Rot. Bonds2

About 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine

5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine (PubChem CID 146171639) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine
PubChem CID146171639
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine
SMILESFc1ncc(Br)cc1CN1CCCCC1
InChIInChI=1S/C11H14BrFN2/c12-10-6-9(11(13)14-7-10)8-15-4-2-1-3-5-15/h6-7H,1-5,8H2
InChIKeyVAKORACXRXJLQQ-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
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

tert-butyl 4-[(5-bromo-2-fluoro-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 146171641
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 56793487
4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121
1-[(4-bromo-5-chloro-2-fluorophenyl)methyl]piperidine
CID 173262584
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-2-fluoropyridine;5-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 159099141
2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole
CID 117192193

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine (CID 146171639) is 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine is Fc1ncc(Br)cc1CN1CCCCC1.
What is the InChIKey of 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine?
The InChIKey is VAKORACXRXJLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-10-6-9(11(13)14-7-10)8-15-4-2-1-3-5-15/h6-7H,1-5,8H2.
What are the key properties of 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine?
5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine has a molecular weight of 273.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 146171639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).