5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine

C11H11BrClF3N2 — CID 106796935

IUPAC5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1N1CCC(Cl)CC1
InChIInChI=1S/C11H11BrClF3N2/c12-7-5-9(11(14,15)16)10(17-6-7)18-3-1-8(13)2-4-18/h5-6,8H,1-4H2
InChIKeyTXKDMRLQVOIGPI-UHFFFAOYSA-N
MW343.57 g/mol
LogP4.07
Rot. Bonds1

About 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine

5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 106796935) has the molecular formula C11H11BrClF3N2 and a molecular weight of 343.57 g/mol. Its IUPAC name is 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID106796935
Molecular FormulaC11H11BrClF3N2
Molecular Weight343.57 g/mol
Exact Mass341.97
IUPAC Name5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1N1CCC(Cl)CC1
InChIInChI=1S/C11H11BrClF3N2/c12-7-5-9(11(14,15)16)10(17-6-7)18-3-1-8(13)2-4-18/h5-6,8H,1-4H2
InChIKeyTXKDMRLQVOIGPI-UHFFFAOYSA-N
XLogP4.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165432807
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
CID 106796608
2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
CID 171994103
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 106795827
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
5-bromo-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
CID 106797166
4-[4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 155981514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine (CID 106796935) is 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)cnc1N1CCC(Cl)CC1.
What is the InChIKey of 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is TXKDMRLQVOIGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF3N2/c12-7-5-9(11(14,15)16)10(17-6-7)18-3-1-8(13)2-4-18/h5-6,8H,1-4H2.
What are the key properties of 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine?
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 343.57 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 106796935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).