2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol

C11H17FN2O — CID 67294296

IUPAC2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol
SMILESFc1ccccn1.OCC[C@@H]1CCNC1
InChIInChI=1S/C6H13NO.C5H4FN/c8-4-2-6-1-3-7-5-6;6-5-3-1-2-4-7-5/h6-8H,1-5H2;1-4H/t6-;/m0./s1
InChIKeyHIKDDOFSTJQNFD-RGMNGODLSA-N
MW212.27 g/mol
LogP1.20
Rot. Bonds2

About 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol

2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol (PubChem CID 67294296) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol
PubChem CID67294296
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol
SMILESFc1ccccn1.OCC[C@@H]1CCNC1
InChIInChI=1S/C6H13NO.C5H4FN/c8-4-2-6-1-3-7-5-6;6-5-3-1-2-4-7-5/h6-8H,1-5H2;1-4H/t6-;/m0./s1
InChIKeyHIKDDOFSTJQNFD-RGMNGODLSA-N
XLogP1.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]pyridine-2-carboxamide
CID 119535290
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
4-pyridin-2-yl-1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 116980606
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
N-(6-fluoro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 104954698
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
CID 117235346

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol (CID 67294296) is 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol is Fc1ccccn1.OCC[C@@H]1CCNC1.
What is the InChIKey of 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol?
The InChIKey is HIKDDOFSTJQNFD-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.C5H4FN/c8-4-2-6-1-3-7-5-6;6-5-3-1-2-4-7-5/h6-8H,1-5H2;1-4H/t6-;/m0./s1.
What are the key properties of 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol?
2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol has a molecular weight of 212.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyridine;2-[(3S)-pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 67294296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).