2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine

C13H16ClF3N2O — CID 106588148

IUPAC2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESCOCC1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C13H16ClF3N2O/c1-20-8-9-3-2-4-19(7-9)12-6-10(13(15,16)17)5-11(14)18-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUVRAELYBELEAPW-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine

2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine (PubChem CID 106588148) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
PubChem CID106588148
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESCOCC1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C13H16ClF3N2O/c1-20-8-9-3-2-4-19(7-9)12-6-10(13(15,16)17)5-11(14)18-12/h5-6,9H,2-4,7-8H2,1H3
InChIKeyUVRAELYBELEAPW-UHFFFAOYSA-N
XLogP3.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylazepane
CID 102715943
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 106587694
1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102716130
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 102716081
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102716047
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine (CID 106588148) is 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine is COCC1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is UVRAELYBELEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-20-8-9-3-2-4-19(7-9)12-6-10(13(15,16)17)5-11(14)18-12/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine?
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 308.73 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 106588148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).