2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine

C11H13ClFIN2 — CID 172626203

IUPAC2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine
SMILESFC[C@H]1CCCN(c2cc(Cl)ncc2I)C1
InChIInChI=1S/C11H13ClFIN2/c12-11-4-10(9(14)6-15-11)16-3-1-2-8(5-13)7-16/h4,6,8H,1-3,5,7H2/t8-/m1/s1
InChIKeyORTDUOLNVFNVGK-MRVPVSSYSA-N
MW354.59 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine

2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine (PubChem CID 172626203) has the molecular formula C11H13ClFIN2 and a molecular weight of 354.59 g/mol. Its IUPAC name is 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine.

Molecular Properties

Compound Name2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine
PubChem CID172626203
Molecular FormulaC11H13ClFIN2
Molecular Weight354.59 g/mol
Exact Mass353.98
IUPAC Name2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine
SMILESFC[C@H]1CCCN(c2cc(Cl)ncc2I)C1
InChIInChI=1S/C11H13ClFIN2/c12-11-4-10(9(14)6-15-11)16-3-1-2-8(5-13)7-16/h4,6,8H,1-3,5,7H2/t8-/m1/s1
InChIKeyORTDUOLNVFNVGK-MRVPVSSYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine?
The IUPAC name of 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine (CID 172626203) is 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine.
What is the SMILES notation for 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine?
The canonical SMILES for 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine is FC[C@H]1CCCN(c2cc(Cl)ncc2I)C1.
What is the InChIKey of 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine?
The InChIKey is ORTDUOLNVFNVGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClFIN2/c12-11-4-10(9(14)6-15-11)16-3-1-2-8(5-13)7-16/h4,6,8H,1-3,5,7H2/t8-/m1/s1.
What are the key properties of 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine?
2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine has a molecular weight of 354.59 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3S)-3-(fluoromethyl)piperidin-1-yl]-5-iodopyridine is sourced from PubChem (CID 172626203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).