6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H17ClF3N3 — CID 102716115

IUPAC6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCCC(C)N1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H17ClF3N3/c1-8-4-3-5-9(2)20(8)19-12-7-10(13(15,16)17)6-11(14)18-12/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyUSKNXNWZYJODAA-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.34
Rot. Bonds2

About 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716115) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716115
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CCCC(C)N1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H17ClF3N3/c1-8-4-3-5-9(2)20(8)19-12-7-10(13(15,16)17)6-11(14)18-12/h6-9H,3-5H2,1-2H3,(H,18,19)
InChIKeyUSKNXNWZYJODAA-UHFFFAOYSA-N
XLogP4.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776089
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715826
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
CID 102716139
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethylpyrrole-2,5-diol
CID 91079762
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 102716000
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,6-dimethylpiperidin-1-amine
CID 71370897
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine
CID 83027612
methyl (2S)-3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylate
CID 162602015

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716115) is 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine is CC1CCCC(C)N1Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is USKNXNWZYJODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-8-4-3-5-9(2)20(8)19-12-7-10(13(15,16)17)6-11(14)18-12/h6-9H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 307.75 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).