3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine

C12H8ClF3N2 — CID 68943850

IUPAC3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C12H8ClF3N2/c1-7-2-3-8(5-17-7)11-10(13)4-9(6-18-11)12(14,15)16/h2-6H,1H3
InChIKeyDCSAAQOIZUSWLK-UHFFFAOYSA-N
MW272.66 g/mol
LogP4.12
Rot. Bonds1

About 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine

3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine (PubChem CID 68943850) has the molecular formula C12H8ClF3N2 and a molecular weight of 272.66 g/mol. Its IUPAC name is 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine
PubChem CID68943850
Molecular FormulaC12H8ClF3N2
Molecular Weight272.66 g/mol
Exact Mass272.03
IUPAC Name3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine
SMILESCc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cn1
InChIInChI=1S/C12H8ClF3N2/c1-7-2-3-8(5-17-7)11-10(13)4-9(6-18-11)12(14,15)16/h2-6H,1H3
InChIKeyDCSAAQOIZUSWLK-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine (CID 68943850) is 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine is Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cn1.
What is the InChIKey of 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine?
The InChIKey is DCSAAQOIZUSWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2/c1-7-2-3-8(5-17-7)11-10(13)4-9(6-18-11)12(14,15)16/h2-6H,1H3.
What are the key properties of 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine has a molecular weight of 272.66 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 68943850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).