5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine

C13H16F2N2O2 — CID 133465210

IUPAC5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
SMILESC=CCOC1CCN(c2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C13H16F2N2O2/c1-2-7-18-11-5-6-17(9-11)12-4-3-10(8-16-12)19-13(14)15/h2-4,8,11,13H,1,5-7,9H2
InChIKeyIUKOXHYXXJRQGN-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.46
Rot. Bonds6

About 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine

5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine (PubChem CID 133465210) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
PubChem CID133465210
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
SMILESC=CCOC1CCN(c2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C13H16F2N2O2/c1-2-7-18-11-5-6-17(9-11)12-4-3-10(8-16-12)19-13(14)15/h2-4,8,11,13H,1,5-7,9H2
InChIKeyIUKOXHYXXJRQGN-UHFFFAOYSA-N
XLogP2.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-6-(3-prop-2-enoxypyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133465360
5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
CID 118020611
2-[(3R)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethoxy)pyridine
CID 99837649
4,5-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465389
4-chloro-2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465338
4-chloro-5-(3-prop-2-enoxypyrrolidin-1-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133465469
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120964902
N,N-dimethyl-2-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidin-4-amine
CID 133465344
8-methyl-4-(3-prop-2-enoxypyrrolidin-1-yl)quinazoline
CID 133465474
2-propan-2-yl-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133465482
1-(4-nitrophenyl)-3-prop-2-enoxypyrrolidine
CID 133465446

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
The IUPAC name of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine (CID 133465210) is 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine is C=CCOC1CCN(c2ccc(OC(F)F)cn2)C1.
What is the InChIKey of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
The InChIKey is IUKOXHYXXJRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-2-7-18-11-5-6-17(9-11)12-4-3-10(8-16-12)19-13(14)15/h2-4,8,11,13H,1,5-7,9H2.
What are the key properties of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine has a molecular weight of 270.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine is sourced from PubChem (CID 133465210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).