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

C11H14ClIN2 — CID 11858854

IUPAC3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCc1ncc([C@@H]2CCCN2C)c(I)c1Cl
InChIInChI=1S/C11H14ClIN2/c1-7-10(12)11(13)8(6-14-7)9-4-3-5-15(9)2/h6,9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyHJWWQIUAHLXTSO-VIFPVBQESA-N
MW336.60 g/mol
LogP3.41
Rot. Bonds1

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

3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 11858854) has the molecular formula C11H14ClIN2 and a molecular weight of 336.60 g/mol. Its IUPAC name is 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID11858854
Molecular FormulaC11H14ClIN2
Molecular Weight336.60 g/mol
Exact Mass335.99
IUPAC Name3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCc1ncc([C@@H]2CCCN2C)c(I)c1Cl
InChIInChI=1S/C11H14ClIN2/c1-7-10(12)11(13)8(6-14-7)9-4-3-5-15(9)2/h6,9H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyHJWWQIUAHLXTSO-VIFPVBQESA-N
XLogP3.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 11858854) is 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is Cc1ncc([C@@H]2CCCN2C)c(I)c1Cl.
What is the InChIKey of 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is HJWWQIUAHLXTSO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14ClIN2/c1-7-10(12)11(13)8(6-14-7)9-4-3-5-15(9)2/h6,9H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 336.60 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 11858854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).