3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine

C14H11ClF3N — CID 1483189

IUPAC3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCc1cccc(Cc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c1-9-3-2-4-10(5-9)6-13-12(15)7-11(8-19-13)14(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyGNZHPIJKWIYIND-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.65
Rot. Bonds2

About 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 1483189) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine
PubChem CID1483189
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCc1cccc(Cc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c1-9-3-2-4-10(5-9)6-13-12(15)7-11(8-19-13)14(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyGNZHPIJKWIYIND-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine (CID 1483189) is 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine is Cc1cccc(Cc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is GNZHPIJKWIYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-9-3-2-4-10(5-9)6-13-12(15)7-11(8-19-13)14(16,17)18/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 285.70 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).