6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H17ClF3N3 — CID 102715838

IUPAC6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCCC(N(C)c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C13H17ClF3N3/c1-19-5-3-4-10(8-19)20(2)12-7-9(13(15,16)17)6-11(14)18-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyJNSTWZTUUVLOSC-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.28
Rot. Bonds2

About 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715838) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715838
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCCC(N(C)c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C13H17ClF3N3/c1-19-5-3-4-10(8-19)20(2)12-7-9(13(15,16)17)6-11(14)18-12/h6-7,10H,3-5,8H2,1-2H3
InChIKeyJNSTWZTUUVLOSC-UHFFFAOYSA-N
XLogP3.28
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715838) is 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine is CN1CCCC(N(C)c2cc(C(F)(F)F)cc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JNSTWZTUUVLOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-19-5-3-4-10(8-19)20(2)12-7-9(13(15,16)17)6-11(14)18-12/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 307.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).