2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine

C9H9F2IN2 — CID 170093023

IUPAC2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine
SMILESFC1(F)CN(Cc2ccc(I)cn2)C1
InChIInChI=1S/C9H9F2IN2/c10-9(11)5-14(6-9)4-8-2-1-7(12)3-13-8/h1-3H,4-6H2
InChIKeyPSORTVHJHDNEJN-UHFFFAOYSA-N
MW310.08 g/mol
LogP2.14
Rot. Bonds2

About 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine

2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine (PubChem CID 170093023) has the molecular formula C9H9F2IN2 and a molecular weight of 310.08 g/mol. Its IUPAC name is 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine.

Molecular Properties

Compound Name2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine
PubChem CID170093023
Molecular FormulaC9H9F2IN2
Molecular Weight310.08 g/mol
Exact Mass309.98
IUPAC Name2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine
SMILESFC1(F)CN(Cc2ccc(I)cn2)C1
InChIInChI=1S/C9H9F2IN2/c10-9(11)5-14(6-9)4-8-2-1-7(12)3-13-8/h1-3H,4-6H2
InChIKeyPSORTVHJHDNEJN-UHFFFAOYSA-N
XLogP2.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine
CID 70909979
2-[(5-propan-2-yl-2-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptane
CID 177083591
4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline
CID 166703299
3-methyl-1-[(5-methyl-2-pyridinyl)methyl]azetidin-3-ol;octane
CID 144686793
5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane
CID 171542363
5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 115666089
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
5-iodopyridin-2-amine
CID 157150642
4-bromo-5-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpyrazole
CID 170563364
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
6-(azocan-1-ylmethyl)pyridin-3-ol
CID 82977011

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine?
The IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine (CID 170093023) is 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine.
What is the SMILES notation for 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine?
The canonical SMILES for 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine is FC1(F)CN(Cc2ccc(I)cn2)C1.
What is the InChIKey of 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine?
The InChIKey is PSORTVHJHDNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IN2/c10-9(11)5-14(6-9)4-8-2-1-7(12)3-13-8/h1-3H,4-6H2.
What are the key properties of 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine?
2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine has a molecular weight of 310.08 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine is sourced from PubChem (CID 170093023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).