(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone

C11H13FN2O2 — CID 164642836

IUPAC(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOC[C@H]1CCN1C(=O)c1ccncc1F
InChIInChI=1S/C11H13FN2O2/c1-16-7-8-3-5-14(8)11(15)9-2-4-13-6-10(9)12/h2,4,6,8H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyKHPGBDUGZOQDPE-MRVPVSSYSA-N
MW224.23 g/mol
LogP1.08
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone (PubChem CID 164642836) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
PubChem CID164642836
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
SMILESCOC[C@H]1CCN1C(=O)c1ccncc1F
InChIInChI=1S/C11H13FN2O2/c1-16-7-8-3-5-14(8)11(15)9-2-4-13-6-10(9)12/h2,4,6,8H,3,5,7H2,1H3/t8-/m1/s1
InChIKeyKHPGBDUGZOQDPE-MRVPVSSYSA-N
XLogP1.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97470131
(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 126768552
N-[[1-(3-fluoropyridine-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 115645845
1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 115646355
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331820
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
CID 64949689

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone (CID 164642836) is (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone is COC[C@H]1CCN1C(=O)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone?
The InChIKey is KHPGBDUGZOQDPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-7-8-3-5-14(8)11(15)9-2-4-13-6-10(9)12/h2,4,6,8H,3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone has a molecular weight of 224.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 164642836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).