[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone

C10H11FN2O — CID 121184939

IUPAC[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(CF)C1
InChIInChI=1S/C10H11FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h1-4,8H,5-7H2
InChIKeyRAJFBFGUJOUEGU-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.12
Rot. Bonds2

About [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone

[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 121184939) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID121184939
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(CF)C1
InChIInChI=1S/C10H11FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h1-4,8H,5-7H2
InChIKeyRAJFBFGUJOUEGU-UHFFFAOYSA-N
XLogP1.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
pyridin-2-yl-[(6S)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961736
[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone
CID 154583687
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone (CID 121184939) is [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC(CF)C1.
What is the InChIKey of [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is RAJFBFGUJOUEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-5-8-6-13(7-8)10(14)9-3-1-2-4-12-9/h1-4,8H,5-7H2.
What are the key properties of [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone?
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 194.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 121184939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).