2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine

C12H13Cl2F3N2 — CID 106993824

IUPAC2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)C1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C12H13Cl2F3N2/c13-10-2-1-8(11(14)18-10)7-19-5-3-9(4-6-19)12(15,16)17/h1-2,9H,3-7H2
InChIKeyUYBKJAMREQDQGC-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.16
Rot. Bonds2

About 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine

2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 106993824) has the molecular formula C12H13Cl2F3N2 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
PubChem CID106993824
Molecular FormulaC12H13Cl2F3N2
Molecular Weight313.15 g/mol
Exact Mass312.04
IUPAC Name2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)C1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C12H13Cl2F3N2/c13-10-2-1-8(11(14)18-10)7-19-5-3-9(4-6-19)12(15,16)17/h1-2,9H,3-7H2
InChIKeyUYBKJAMREQDQGC-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 106993757
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol
CID 106995046
5-[(2,6-dichloro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106994934
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine (CID 106993824) is 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine is FC(F)(F)C1CCN(Cc2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is UYBKJAMREQDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F3N2/c13-10-2-1-8(11(14)18-10)7-19-5-3-9(4-6-19)12(15,16)17/h1-2,9H,3-7H2.
What are the key properties of 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine?
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 313.15 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 106993824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).