3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride

C30H38Cl5I10N6V3 — CID 157088609

IUPAC3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride
SMILESCN1CCC[C@H]1c1cnc(Cl)c(Cl)c1.CN1CCC[C@H]1c1cncc(Cl)c1.CN1CCC[C@H]1c1cncc(Cl)c1I.Cl.II.I[V](I)I.I[V]I.I[V]I
InChIInChI=1S/C10H12Cl2N2.C10H12ClIN2.C10H13ClN2.ClH.I2.7HI.3V/c1-14-4-2-3-9(14)7-5-8(11)10(12)13-6-7;1-14-4-2-3-9(14)7-5-13-6-8(11)10(7)12;1-13-4-2-3-10(13)8-5-9(11)7-12-6-8;;1-2;;;;;;;;;;/h2*5-6,9H,2-4H2,1H3;5-7,10H,2-4H2,1H3;1H;;7*1H;;;/q;;;;;;;;;;;;2*+2;+3/p-7/t2*9-;10-;;;;;;;;;;;;/m000............/s1
InChIKeyOFMVPBNMUCVYCK-XXFPEUAMSA-G
MW2081.81 g/mol
LogP17.15
Rot. Bonds3

About 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride

3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride (PubChem CID 157088609) has the molecular formula C30H38Cl5I10N6V3 and a molecular weight of 2081.81 g/mol. Its IUPAC name is 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride
PubChem CID157088609
Molecular FormulaC30H38Cl5I10N6V3
Molecular Weight2081.81 g/mol
Exact Mass2079.04
IUPAC Name3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride
SMILESCN1CCC[C@H]1c1cnc(Cl)c(Cl)c1.CN1CCC[C@H]1c1cncc(Cl)c1.CN1CCC[C@H]1c1cncc(Cl)c1I.Cl.II.I[V](I)I.I[V]I.I[V]I
InChIInChI=1S/C10H12Cl2N2.C10H12ClIN2.C10H13ClN2.ClH.I2.7HI.3V/c1-14-4-2-3-9(14)7-5-8(11)10(12)13-6-7;1-14-4-2-3-9(14)7-5-13-6-8(11)10(7)12;1-13-4-2-3-10(13)8-5-9(11)7-12-6-8;;1-2;;;;;;;;;;/h2*5-6,9H,2-4H2,1H3;5-7,10H,2-4H2,1H3;1H;;7*1H;;;/q;;;;;;;;;;;;2*+2;+3/p-7/t2*9-;10-;;;;;;;;;;;;/m000............/s1
InChIKeyOFMVPBNMUCVYCK-XXFPEUAMSA-G
XLogP17.15
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002081.81
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride with MolForge

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Related Compounds

2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 59522801
3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
CID 158698333
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
CID 115043434
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11858854
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
trimethyl-[2-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]ethynyl]silane
CID 19694299
3-(1-methylpyrrolidin-2-yl)-5-phenylpyridine
CID 19694355
N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
CID 150406951
[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
CID 58651658
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride?
The IUPAC name of 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride (CID 157088609) is 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride.
What is the SMILES notation for 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride?
The canonical SMILES for 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride is CN1CCC[C@H]1c1cnc(Cl)c(Cl)c1.CN1CCC[C@H]1c1cncc(Cl)c1.CN1CCC[C@H]1c1cncc(Cl)c1I.Cl.II.I[V](I)I.I[V]I.I[V]I.
What is the InChIKey of 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride?
The InChIKey is OFMVPBNMUCVYCK-XXFPEUAMSA-G. The full InChI is InChI=1S/C10H12Cl2N2.C10H12ClIN2.C10H13ClN2.ClH.I2.7HI.3V/c1-14-4-2-3-9(14)7-5-8(11)10(12)13-6-7;1-14-4-2-3-9(14)7-5-13-6-8(11)10(7)12;1-13-4-2-3-10(13)8-5-9(11)7-12-6-8;;1-2;;;;;;;;;;/h2*5-6,9H,2-4H2,1H3;5-7,10H,2-4H2,1H3;1H;;7*1H;;;/q;;;;;;;;;;;;2*+2;+3/p-7/t2*9-;10-;;;;;;;;;;;;/m000............/s1.
What are the key properties of 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride?
3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride has a molecular weight of 2081.81 g/mol, XLogP of 17.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2,3-dichloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(diiodovanadium);molecular iodine;triiodovanadium;hydrochloride is sourced from PubChem (CID 157088609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).