2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium

C19H22FN2O2+ — CID 171535802

IUPAC2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium
SMILESCc1ccc(OC2CCCC2)[n+](C2CC2Oc2ncccc2F)c1
InChIInChI=1S/C19H22FN2O2/c1-13-8-9-18(23-14-5-2-3-6-14)22(12-13)16-11-17(16)24-19-15(20)7-4-10-21-19/h4,7-10,12,14,16-17H,2-3,5-6,11H2,1H3/q+1
InChIKeyDJRXFZODAFLAHD-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.53
Rot. Bonds5

About 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium

2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium (PubChem CID 171535802) has the molecular formula C19H22FN2O2+ and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium
PubChem CID171535802
Molecular FormulaC19H22FN2O2+
Molecular Weight329.39 g/mol
Exact Mass329.17
IUPAC Name2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium
SMILESCc1ccc(OC2CCCC2)[n+](C2CC2Oc2ncccc2F)c1
InChIInChI=1S/C19H22FN2O2/c1-13-8-9-18(23-14-5-2-3-6-14)22(12-13)16-11-17(16)24-19-15(20)7-4-10-21-19/h4,7-10,12,14,16-17H,2-3,5-6,11H2,1H3/q+1
InChIKeyDJRXFZODAFLAHD-UHFFFAOYSA-N
XLogP3.53
TPSA35.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyloxy-3-fluoropyridine
CID 126955068
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
2-cyclopentyloxy-3-propan-2-ylpyridine
CID 164786462
N-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]cyclopentanamine
CID 115750537
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364853
1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120849833
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
2-cyclopropylsulfonyl-4-[(3-fluoro-2-pyridinyl)oxy]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 131669400
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 136537189

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium?
The IUPAC name of 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium (CID 171535802) is 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium.
What is the SMILES notation for 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium?
The canonical SMILES for 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium is Cc1ccc(OC2CCCC2)[n+](C2CC2Oc2ncccc2F)c1.
What is the InChIKey of 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium?
The InChIKey is DJRXFZODAFLAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN2O2/c1-13-8-9-18(23-14-5-2-3-6-14)22(12-13)16-11-17(16)24-19-15(20)7-4-10-21-19/h4,7-10,12,14,16-17H,2-3,5-6,11H2,1H3/q+1.
What are the key properties of 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium?
2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium has a molecular weight of 329.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[2-[(3-fluoro-2-pyridinyl)oxy]cyclopropyl]-5-methylpyridin-1-ium is sourced from PubChem (CID 171535802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).