3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C11H14ClIN2O — CID 59522816

IUPAC3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOc1ncc([C@@H]2CCCN2C)c(I)c1Cl
InChIInChI=1S/C11H14ClIN2O/c1-15-5-3-4-8(15)7-6-14-11(16-2)9(12)10(7)13/h6,8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyBUNKDAJGXRQGCU-QMMMGPOBSA-N
MW352.60 g/mol
LogP3.11
Rot. Bonds2

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

3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 59522816) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID59522816
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOc1ncc([C@@H]2CCCN2C)c(I)c1Cl
InChIInChI=1S/C11H14ClIN2O/c1-15-5-3-4-8(15)7-6-14-11(16-2)9(12)10(7)13/h6,8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyBUNKDAJGXRQGCU-QMMMGPOBSA-N
XLogP3.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 59522816) is 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is COc1ncc([C@@H]2CCCN2C)c(I)c1Cl.
What is the InChIKey of 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is BUNKDAJGXRQGCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-15-5-3-4-8(15)7-6-14-11(16-2)9(12)10(7)13/h6,8H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 352.60 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 59522816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).