3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine

C10H12BrFN2 — CID 171993882

IUPAC3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
SMILESFCC1CN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C10H12BrFN2/c11-10-1-8(3-13-4-10)5-14-6-9(2-12)7-14/h1,3-4,9H,2,5-7H2
InChIKeyATLPUSIGDDHSSL-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.25
Rot. Bonds3

About 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine

3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine (PubChem CID 171993882) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
PubChem CID171993882
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
SMILESFCC1CN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C10H12BrFN2/c11-10-1-8(3-13-4-10)5-14-6-9(2-12)7-14/h1,3-4,9H,2,5-7H2
InChIKeyATLPUSIGDDHSSL-UHFFFAOYSA-N
XLogP2.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
CID 104800887
6-benzyl-3-[(5-bromo-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 172906024
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine?
The IUPAC name of 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine (CID 171993882) is 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine is FCC1CN(Cc2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine?
The InChIKey is ATLPUSIGDDHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-10-1-8(3-13-4-10)5-14-6-9(2-12)7-14/h1,3-4,9H,2,5-7H2.
What are the key properties of 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine?
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine has a molecular weight of 259.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine is sourced from PubChem (CID 171993882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).