3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine

C7H6ClF3N2 — CID 2463191

IUPAC3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2/c1-12-6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,1H3,(H,12,13)
InChIKeyXWCGPHUZEGMFAI-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.80
Rot. Bonds1

About 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2463191) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2463191
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2/c1-12-6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,1H3,(H,12,13)
InChIKeyXWCGPHUZEGMFAI-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 2463191) is 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine is CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XWCGPHUZEGMFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-12-6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,1H3,(H,12,13).
What are the key properties of 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-methyl-5-(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 3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2463191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).