3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine

C10H13IN2O — CID 170093013

IUPAC3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine
SMILESCc1cncc(OCC2CN(I)C2)c1
InChIInChI=1S/C10H13IN2O/c1-8-2-10(4-12-3-8)14-7-9-5-13(11)6-9/h2-4,9H,5-7H2,1H3
InChIKeyXTPHTPRVSUNCDP-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.05
Rot. Bonds3

About 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine

3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine (PubChem CID 170093013) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine.

Molecular Properties

Compound Name3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine
PubChem CID170093013
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine
SMILESCc1cncc(OCC2CN(I)C2)c1
InChIInChI=1S/C10H13IN2O/c1-8-2-10(4-12-3-8)14-7-9-5-13(11)6-9/h2-4,9H,5-7H2,1H3
InChIKeyXTPHTPRVSUNCDP-UHFFFAOYSA-N
XLogP2.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-4-[(5-methyl-3-pyridinyl)oxymethyl]imidazolidin-2-one
CID 145472836
3-cyclobutyloxy-5-methylpyridine
CID 130057239
3-methyl-5-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine
CID 90426502
5-(cyclopropylmethoxy)pyridine-3-sulfonamide
CID 175287072
3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine
CID 164662299
2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
CID 155039113
3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
CID 67001177
(5-methyl-3-pyridinyl)oxyboronic acid
CID 142647685
CID 174996178
CID 174996178
[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid
CID 79182686
potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide
CID 79182858
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640

Frequently Asked Questions

What is the IUPAC name of 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine?
The IUPAC name of 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine (CID 170093013) is 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine.
What is the SMILES notation for 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine?
The canonical SMILES for 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine is Cc1cncc(OCC2CN(I)C2)c1.
What is the InChIKey of 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine?
The InChIKey is XTPHTPRVSUNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-8-2-10(4-12-3-8)14-7-9-5-13(11)6-9/h2-4,9H,5-7H2,1H3.
What are the key properties of 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine?
3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine has a molecular weight of 304.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-iodoazetidin-3-yl)methoxy]-5-methylpyridine is sourced from PubChem (CID 170093013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).