2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride

C10H12ClF2IN2O — CID 146447713

IUPAC2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride
SMILESCl.Fc1nccc(I)c1OC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C10H11F2IN2O.ClH/c11-6-3-7(15-4-6)5-16-9-8(13)1-2-14-10(9)12;/h1-2,6-7,15H,3-5H2;1H/t6-,7-;/m0./s1
InChIKeyOYXZRQKABAGADL-LEUCUCNGSA-N
MW376.57 g/mol
LogP2.33
Rot. Bonds3

About 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride

2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride (PubChem CID 146447713) has the molecular formula C10H12ClF2IN2O and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride
PubChem CID146447713
Molecular FormulaC10H12ClF2IN2O
Molecular Weight376.57 g/mol
Exact Mass375.97
IUPAC Name2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride
SMILESCl.Fc1nccc(I)c1OC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C10H11F2IN2O.ClH/c11-6-3-7(15-4-6)5-16-9-8(13)1-2-14-10(9)12;/h1-2,6-7,15H,3-5H2;1H/t6-,7-;/m0./s1
InChIKeyOYXZRQKABAGADL-LEUCUCNGSA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-5-[(2-fluoro-4-iodo-3-pyridinyl)oxymethyl]pyrrolidin-3-ol;(4S,6S)-10-iodo-8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-4-ol;hydrochloride
CID 161306531
2-fluoro-3-[[(2S)-4-(methoxymethyl)pyrrolidin-2-yl]methoxy]-4-methylpyridine
CID 146510575
2-fluoro-3-hydroperoxy-4-iodopyridine
CID 163928506
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
2-fluoro-4-iodo-6-nitro-3-(pyrrolidin-2-ylmethoxy)pyridine;hydrochloride
CID 146448218
2-fluoro-4-iodo-6-nitro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 146448217
ethyl 4-[(4-fluoropyrrolidin-2-yl)methoxy]-3-methoxybenzoate
CID 23512277
3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10241442
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
CID 46182395
[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine
CID 167726327
2-[3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-phenyl-1H-pyrrolo[3,2-b]pyridine
CID 170762541

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride?
The IUPAC name of 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride (CID 146447713) is 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride.
What is the SMILES notation for 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride?
The canonical SMILES for 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride is Cl.Fc1nccc(I)c1OC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride?
The InChIKey is OYXZRQKABAGADL-LEUCUCNGSA-N. The full InChI is InChI=1S/C10H11F2IN2O.ClH/c11-6-3-7(15-4-6)5-16-9-8(13)1-2-14-10(9)12;/h1-2,6-7,15H,3-5H2;1H/t6-,7-;/m0./s1.
What are the key properties of 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride?
2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride has a molecular weight of 376.57 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy]-4-iodopyridine;hydrochloride is sourced from PubChem (CID 146447713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).