6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine

C7H6ClF3N2 — CID 11074677

IUPAC6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCNc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c1-12-6-4(7(9,10)11)2-3-5(8)13-6/h2-3H,1H3,(H,12,13)
InChIKeyMVSUFYAEDPUPJI-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.80
Rot. Bonds1

About 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine

6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 11074677) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID11074677
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCNc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C7H6ClF3N2/c1-12-6-4(7(9,10)11)2-3-5(8)13-6/h2-3H,1H3,(H,12,13)
InChIKeyMVSUFYAEDPUPJI-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine (CID 11074677) is 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine is CNc1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MVSUFYAEDPUPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-12-6-4(7(9,10)11)2-3-5(8)13-6/h2-3H,1H3,(H,12,13).
What are the key properties of 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 210.59 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 11074677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).