6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine

C11H16BrFN2 — CID 162526561

IUPAC6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine
SMILESCC1C=CC=C(Br)N1C1CCNCC1F
InChIInChI=1S/C11H16BrFN2/c1-8-3-2-4-11(12)15(8)10-5-6-14-7-9(10)13/h2-4,8-10,14H,5-7H2,1H3
InChIKeyZPFQDVCVYVDURI-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.18
Rot. Bonds1

About 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine

6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine (PubChem CID 162526561) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine.

Molecular Properties

Compound Name6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine
PubChem CID162526561
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC Name6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine
SMILESCC1C=CC=C(Br)N1C1CCNCC1F
InChIInChI=1S/C11H16BrFN2/c1-8-3-2-4-11(12)15(8)10-5-6-14-7-9(10)13/h2-4,8-10,14H,5-7H2,1H3
InChIKeyZPFQDVCVYVDURI-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806
5-bromo-3-fluoro-1-N-(1-methylpiperidin-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 168215584
5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 177223315
N-[(2E,4Z)-2-fluoro-4,6-dimethylhepta-2,4,6-trienyl]-1-methylpiperidin-4-amine
CID 144301221
N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 70797133
1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
CID 70994787
1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
CID 87152342
N-[(3E,5E)-6-bromo-3-ethylhexa-3,5-dienyl]-N-methylpiperidin-4-amine
CID 121422780

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine?
The IUPAC name of 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine (CID 162526561) is 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine.
What is the SMILES notation for 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine?
The canonical SMILES for 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine is CC1C=CC=C(Br)N1C1CCNCC1F.
What is the InChIKey of 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine?
The InChIKey is ZPFQDVCVYVDURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-8-3-2-4-11(12)15(8)10-5-6-14-7-9(10)13/h2-4,8-10,14H,5-7H2,1H3.
What are the key properties of 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine?
6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine has a molecular weight of 275.16 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-fluoropiperidin-4-yl)-2-methyl-2H-pyridine is sourced from PubChem (CID 162526561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).