2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine

C12H16FIN2O — CID 134521069

IUPAC2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine
SMILESFCCCN1CCC(Oc2ccc(I)cn2)C1
InChIInChI=1S/C12H16FIN2O/c13-5-1-6-16-7-4-11(9-16)17-12-3-2-10(14)8-15-12/h2-3,8,11H,1,4-7,9H2
InChIKeyBROUZWMHINSMCZ-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.50
Rot. Bonds5

About 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine

2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine (PubChem CID 134521069) has the molecular formula C12H16FIN2O and a molecular weight of 350.18 g/mol. Its IUPAC name is 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine.

Molecular Properties

Compound Name2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine
PubChem CID134521069
Molecular FormulaC12H16FIN2O
Molecular Weight350.18 g/mol
Exact Mass350.03
IUPAC Name2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine
SMILESFCCCN1CCC(Oc2ccc(I)cn2)C1
InChIInChI=1S/C12H16FIN2O/c13-5-1-6-16-7-4-11(9-16)17-12-3-2-10(14)8-15-12/h2-3,8,11H,1,4-7,9H2
InChIKeyBROUZWMHINSMCZ-UHFFFAOYSA-N
XLogP2.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
CID 134521035
5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde
CID 174210863
6-bromo-1-fluoro-5-[6-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 134520866
5-[6-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 134521147
(3S)-3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 154703687
3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine;hydrochloride
CID 154791786
6-(4-chloro-3-methylphenyl)-1-fluoro-5-[6-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 142351485
4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
CID 134520891
2-[1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl]oxy-5-iodopyridine
CID 90157933
(1R,3R)-2-(1-bicyclo[2.1.1]hexanyl)-1-[6-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 167141474
2-[3-(5-methylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanol
CID 142368254
1-(2,4-dichlorophenyl)-5-[6-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 175759018

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine?
The IUPAC name of 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine (CID 134521069) is 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine.
What is the SMILES notation for 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine?
The canonical SMILES for 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine is FCCCN1CCC(Oc2ccc(I)cn2)C1.
What is the InChIKey of 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine?
The InChIKey is BROUZWMHINSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2O/c13-5-1-6-16-7-4-11(9-16)17-12-3-2-10(14)8-15-12/h2-3,8,11H,1,4-7,9H2.
What are the key properties of 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine?
2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine has a molecular weight of 350.18 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine is sourced from PubChem (CID 134521069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).