2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine

C10H13FN2 — CID 130684002

IUPAC2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
SMILESCc1cccnc1CN1CC(F)C1
InChIInChI=1S/C10H13FN2/c1-8-3-2-4-12-10(8)7-13-5-9(11)6-13/h2-4,9H,5-7H2,1H3
InChIKeyIXLUWAXOYYKBQI-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.54
Rot. Bonds2

About 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine

2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine (PubChem CID 130684002) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
PubChem CID130684002
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
SMILESCc1cccnc1CN1CC(F)C1
InChIInChI=1S/C10H13FN2/c1-8-3-2-4-12-10(8)7-13-5-9(11)6-13/h2-4,9H,5-7H2,1H3
InChIKeyIXLUWAXOYYKBQI-UHFFFAOYSA-N
XLogP1.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 112651020
(3R,4R)-1-[(3-methyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 133128090
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
3-ethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950792
2-[[(3S,4R)-4-fluoro-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
CID 75410623
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine?
The IUPAC name of 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine (CID 130684002) is 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine.
What is the SMILES notation for 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine?
The canonical SMILES for 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine is Cc1cccnc1CN1CC(F)C1.
What is the InChIKey of 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine?
The InChIKey is IXLUWAXOYYKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-8-3-2-4-12-10(8)7-13-5-9(11)6-13/h2-4,9H,5-7H2,1H3.
What are the key properties of 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine?
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine has a molecular weight of 180.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine is sourced from PubChem (CID 130684002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).