(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H14ClF3N2O — CID 172646099

IUPAC(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c(Cl)n1
InChIInChI=1S/C13H14ClF3N2O/c1-8-2-3-10(11(14)18-8)12(20)19-6-4-9(5-7-19)13(15,16)17/h2-3,9H,4-7H2,1H3
InChIKeyOHQARBZROGKZCE-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.46
Rot. Bonds1

About (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 172646099) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID172646099
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c(Cl)n1
InChIInChI=1S/C13H14ClF3N2O/c1-8-2-3-10(11(14)18-8)12(20)19-6-4-9(5-7-19)13(15,16)17/h2-3,9H,4-7H2,1H3
InChIKeyOHQARBZROGKZCE-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone 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

(2-chloro-6-methyl-3-pyridinyl)-(4-cyclopentylpiperidin-1-yl)methanone
CID 154856557
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 126739502
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 81248549
(5-bromo-2-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 168678080
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 113245179
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 166611421
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 172646099) is (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is OHQARBZROGKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c1-8-2-3-10(11(14)18-8)12(20)19-6-4-9(5-7-19)13(15,16)17/h2-3,9H,4-7H2,1H3.
What are the key properties of (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 306.72 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 172646099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).