5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine

C19H20Cl2F3N — CID 138603055

IUPAC5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(Cc2nc(C(C)C)c(Cl)cc2C(F)(F)F)cc1Cl
InChIInChI=1S/C19H20Cl2F3N/c1-10(2)13-6-5-12(7-15(13)20)8-17-14(19(22,23)24)9-16(21)18(25-17)11(3)4/h5-7,9-11H,8H2,1-4H3
InChIKeyJEESKVPFGNJETA-UHFFFAOYSA-N
MW390.28 g/mol
LogP7.24
Rot. Bonds4

About 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine

5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 138603055) has the molecular formula C19H20Cl2F3N and a molecular weight of 390.28 g/mol. Its IUPAC name is 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID138603055
Molecular FormulaC19H20Cl2F3N
Molecular Weight390.28 g/mol
Exact Mass389.09
IUPAC Name5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(Cc2nc(C(C)C)c(Cl)cc2C(F)(F)F)cc1Cl
InChIInChI=1S/C19H20Cl2F3N/c1-10(2)13-6-5-12(7-15(13)20)8-17-14(19(22,23)24)9-16(21)18(25-17)11(3)4/h5-7,9-11H,8H2,1-4H3
InChIKeyJEESKVPFGNJETA-UHFFFAOYSA-N
XLogP7.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.28
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine (CID 138603055) is 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1ccc(Cc2nc(C(C)C)c(Cl)cc2C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is JEESKVPFGNJETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2F3N/c1-10(2)13-6-5-12(7-15(13)20)8-17-14(19(22,23)24)9-16(21)18(25-17)11(3)4/h5-7,9-11H,8H2,1-4H3.
What are the key properties of 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine?
5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 390.28 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-chloro-4-propan-2-ylphenyl)methyl]-6-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 138603055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).