5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde

C13H17FN2O2 — CID 174210863

IUPAC5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde
SMILESO=Cc1ccc(OC2CCN(CCCF)C2)cn1
InChIInChI=1S/C13H17FN2O2/c14-5-1-6-16-7-4-13(9-16)18-12-3-2-11(10-17)15-8-12/h2-3,8,10,13H,1,4-7,9H2
InChIKeyMAEZMVNEEARYQI-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds6

About 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde

5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde (PubChem CID 174210863) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde
PubChem CID174210863
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde
SMILESO=Cc1ccc(OC2CCN(CCCF)C2)cn1
InChIInChI=1S/C13H17FN2O2/c14-5-1-6-16-7-4-13(9-16)18-12-3-2-11(10-17)15-8-12/h2-3,8,10,13H,1,4-7,9H2
InChIKeyMAEZMVNEEARYQI-UHFFFAOYSA-N
XLogP1.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-5-iodopyridine
CID 134521069
(3S)-3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 154703687
4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
CID 134520891
3-[4-(chloromethyl)phenoxy]-1-(3-fluoropropyl)pyrrolidine;hydrochloride
CID 154791786
5-bromo-2-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyrimidine
CID 134521035
3-[4-(dimethoxymethyl)-3,5-difluorophenoxy]-1-(3-fluoropropyl)pyrrolidine
CID 134521046
(6S,8R)-6-[5-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinoline
CID 162663818
4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenol
CID 139408666
N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide
CID 97058706
(6S,8R)-6-[5-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydro-[1,3]oxazolo[5,4-f]isoquinolin-2-one
CID 171743532
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
CID 82892009
5-(1-pentylpiperidin-4-yl)oxypyridine-2-carbonitrile
CID 177365537

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde?
The IUPAC name of 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde (CID 174210863) is 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde?
The canonical SMILES for 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde is O=Cc1ccc(OC2CCN(CCCF)C2)cn1.
What is the InChIKey of 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde?
The InChIKey is MAEZMVNEEARYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-5-1-6-16-7-4-13(9-16)18-12-3-2-11(10-17)15-8-12/h2-3,8,10,13H,1,4-7,9H2.
What are the key properties of 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde?
5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde has a molecular weight of 252.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxypyridine-2-carbaldehyde is sourced from PubChem (CID 174210863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).