3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine

C11H14BrFN2 — CID 134321567

IUPAC3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2c(F)cncc2Br)CC1
InChIInChI=1S/C11H14BrFN2/c1-8-2-4-15(5-3-8)11-9(12)6-14-7-10(11)13/h6-8H,2-5H2,1H3
InChIKeyYOOZDNKGPDSJBT-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.22
Rot. Bonds1

About 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine

3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine (PubChem CID 134321567) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine
PubChem CID134321567
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2c(F)cncc2Br)CC1
InChIInChI=1S/C11H14BrFN2/c1-8-2-4-15(5-3-8)11-9(12)6-14-7-10(11)13/h6-8H,2-5H2,1H3
InChIKeyYOOZDNKGPDSJBT-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-Dibromopyridin-4-yl)piperidine-4-carboxamide
CID 45275245
3-Bromo-N,N-dimethylpyridin-4-amine
CID 11557486
4-Amino-3,5-dibromopyridine
CID 619792
3-Bromo-5-methylpyridin-4-amine
CID 13419576
3-Bromo-4-(piperidin-1-yl)pyridine
CID 16740164
3-Bromo-5-fluoropyridin-4-amine
CID 53485488
3-Bromo-5-fluoro-4-methylpyridine
CID 66685263
3-Bromo-4-ethyl-5-fluoropyridine
CID 70701173
3-Bromo-5-(trifluoromethyl)pyridin-4-amine
CID 118806481
3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine
CID 154577028
N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine
CID 24774462
3,5-Dibromo-N,N-dimethylpyridin-4-amine
CID 72942937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine (CID 134321567) is 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine is CC1CCN(c2c(F)cncc2Br)CC1.
What is the InChIKey of 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine?
The InChIKey is YOOZDNKGPDSJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-8-2-4-15(5-3-8)11-9(12)6-14-7-10(11)13/h6-8H,2-5H2,1H3.
What are the key properties of 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine?
3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine has a molecular weight of 273.15 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-4-(4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 134321567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).