6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine

C12H9ClF3N3 — CID 168948395

IUPAC6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
SMILESCc1nc(Cl)cc(-c2cccnc2C(F)(F)F)c1N
InChIInChI=1S/C12H9ClF3N3/c1-6-10(17)8(5-9(13)19-6)7-3-2-4-18-11(7)12(14,15)16/h2-5H,17H2,1H3
InChIKeyJSYXNVKJTUKNNR-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.71
Rot. Bonds1

About 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine

6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine (PubChem CID 168948395) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
PubChem CID168948395
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
SMILESCc1nc(Cl)cc(-c2cccnc2C(F)(F)F)c1N
InChIInChI=1S/C12H9ClF3N3/c1-6-10(17)8(5-9(13)19-6)7-3-2-4-18-11(7)12(14,15)16/h2-5H,17H2,1H3
InChIKeyJSYXNVKJTUKNNR-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine (CID 168948395) is 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine is Cc1nc(Cl)cc(-c2cccnc2C(F)(F)F)c1N.
What is the InChIKey of 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
The InChIKey is JSYXNVKJTUKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c1-6-10(17)8(5-9(13)19-6)7-3-2-4-18-11(7)12(14,15)16/h2-5H,17H2,1H3.
What are the key properties of 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine?
6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine has a molecular weight of 287.67 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[2-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 168948395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).