1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane

C12H15FN2O — CID 156848733

IUPAC1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1cccnc1OCC12CCC(CC1)N2
InChIInChI=1S/C12H15FN2O/c13-10-2-1-7-14-11(10)16-8-12-5-3-9(15-12)4-6-12/h1-2,7,9,15H,3-6,8H2
InChIKeyUHEWGPDQLOOVKB-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.88
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane

1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 156848733) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane
PubChem CID156848733
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1cccnc1OCC12CCC(CC1)N2
InChIInChI=1S/C12H15FN2O/c13-10-2-1-7-14-11(10)16-8-12-5-3-9(15-12)4-6-12/h1-2,7,9,15H,3-6,8H2
InChIKeyUHEWGPDQLOOVKB-UHFFFAOYSA-N
XLogP1.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-2-pyridinyl)oxymethyl]cyclopropane-1-carbaldehyde
CID 121207873
(4aR,8aR)-4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-(pyridin-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364374
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
N-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]cyclopentanamine
CID 115750537
(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
CID 175419170
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155849757
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
(4aS,8aS)-4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124799604
1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane
CID 156848196

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane (CID 156848733) is 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane is Fc1cccnc1OCC12CCC(CC1)N2.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is UHEWGPDQLOOVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-2-1-7-14-11(10)16-8-12-5-3-9(15-12)4-6-12/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 222.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 156848733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).