2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine

C11H11ClF3IN2 — CID 172626328

IUPAC2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2cc(Cl)ncc2I)CC1
InChIInChI=1S/C11H11ClF3IN2/c12-10-5-9(8(16)6-17-10)18-3-1-7(2-4-18)11(13,14)15/h5-7H,1-4H2
InChIKeyOYBCLIOGJHHDTJ-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.12
Rot. Bonds1

About 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine

2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (PubChem CID 172626328) has the molecular formula C11H11ClF3IN2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
PubChem CID172626328
Molecular FormulaC11H11ClF3IN2
Molecular Weight390.57 g/mol
Exact Mass389.96
IUPAC Name2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2cc(Cl)ncc2I)CC1
InChIInChI=1S/C11H11ClF3IN2/c12-10-5-9(8(16)6-17-10)18-3-1-7(2-4-18)11(13,14)15/h5-7H,1-4H2
InChIKeyOYBCLIOGJHHDTJ-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.12
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

(1-(3,5-Dichloropyridin-4-yl)piperidin-4-yl)methanamine
CID 45275783
2-Chloro-5-iodopyridin-4-amine
CID 45480366
3,5-Dichloro-4-piperidin-1-ylpyridine
CID 101493931
2-Chloro-4-iodo-5-(trifluoromethyl)pyridine
CID 2773791
2-Chloro-5-fluoropyridin-4-amine
CID 22284035
2-Chloro-3-iodopyridin-4-amine
CID 24229208
2-Chloro-4-(piperidin-1-yl)pyridine
CID 53217413
4-Chloro-5-iodo-2-(trifluoromethyl)pyridine
CID 68756059
2-Chloro-5-(trifluoromethyl)-4-pyridinamine
CID 71306156
2-Chloro-4-(dimethylamino)pyridine
CID 10986495
4-Diethylamino-5-chlorofluoropyridine
CID 129815648
2-Chloro-4-(piperidin-1-ylmethyl)pyridine
CID 9855846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The IUPAC name of 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (CID 172626328) is 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is FC(F)(F)C1CCN(c2cc(Cl)ncc2I)CC1.
What is the InChIKey of 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The InChIKey is OYBCLIOGJHHDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3IN2/c12-10-5-9(8(16)6-17-10)18-3-1-7(2-4-18)11(13,14)15/h5-7H,1-4H2.
What are the key properties of 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine has a molecular weight of 390.57 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 172626328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).