2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C10H11Cl2IN2 — CID 59522801

IUPAC2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cnc(Cl)c(Cl)c1I
InChIInChI=1S/C10H11Cl2IN2/c1-15-4-2-3-7(15)6-5-14-10(12)8(11)9(6)13/h5,7H,2-4H2,1H3/t7-/m0/s1
InChIKeyZZJWTCOVTGOWPW-ZETCQYMHSA-N
MW357.02 g/mol
LogP3.76
Rot. Bonds1

About 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 59522801) has the molecular formula C10H11Cl2IN2 and a molecular weight of 357.02 g/mol. Its IUPAC name is 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID59522801
Molecular FormulaC10H11Cl2IN2
Molecular Weight357.02 g/mol
Exact Mass355.93
IUPAC Name2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cnc(Cl)c(Cl)c1I
InChIInChI=1S/C10H11Cl2IN2/c1-15-4-2-3-7(15)6-5-14-10(12)8(11)9(6)13/h5,7H,2-4H2,1H3/t7-/m0/s1
InChIKeyZZJWTCOVTGOWPW-ZETCQYMHSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.02
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 11858854
[2-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-trimethylsilane
CID 58651658
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
2-chloro-N-methyl-5-(1-methylpyrrolidin-2-yl)pyridin-4-amine;formaldehyde
CID 174930186
[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
CID 115043434
3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
CID 158698333
[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
CID 115018745
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
5-chloro-3-(1-methylpyrrolidin-2-yl)pyridazine
CID 117105735
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 59522801) is 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CN1CCC[C@H]1c1cnc(Cl)c(Cl)c1I.
What is the InChIKey of 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is ZZJWTCOVTGOWPW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11Cl2IN2/c1-15-4-2-3-7(15)6-5-14-10(12)8(11)9(6)13/h5,7H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 357.02 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 59522801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).