5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine

C13H14BrFN4 — CID 166600849

IUPAC5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine
SMILESCc1nccn1CC1CN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C13H14BrFN4/c1-9-16-2-3-18(9)6-10-7-19(8-10)13-12(15)4-11(14)5-17-13/h2-5,10H,6-8H2,1H3
InChIKeyDLKBVVYUXYLCMI-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.62
Rot. Bonds3

About 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine

5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine (PubChem CID 166600849) has the molecular formula C13H14BrFN4 and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine
PubChem CID166600849
Molecular FormulaC13H14BrFN4
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine
SMILESCc1nccn1CC1CN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C13H14BrFN4/c1-9-16-2-3-18(9)6-10-7-19(8-10)13-12(15)4-11(14)5-17-13/h2-5,10H,6-8H2,1H3
InChIKeyDLKBVVYUXYLCMI-UHFFFAOYSA-N
XLogP2.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
CID 155942481
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 104923920
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
1-(azetidin-3-ylmethyl)-2-methylimidazole
CID 91812453
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5,6-dimethyl-7-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976182
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine (CID 166600849) is 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine is Cc1nccn1CC1CN(c2ncc(Br)cc2F)C1.
What is the InChIKey of 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine?
The InChIKey is DLKBVVYUXYLCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4/c1-9-16-2-3-18(9)6-10-7-19(8-10)13-12(15)4-11(14)5-17-13/h2-5,10H,6-8H2,1H3.
What are the key properties of 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine?
5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine has a molecular weight of 325.19 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-[3-[(2-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridine is sourced from PubChem (CID 166600849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).