2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine

C21H29F3N2O — CID 143869962

IUPAC2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCCC(CC)c1cnc(C)c(O)c1.Cc1cc(C(F)(F)F)c(C(C)C)cn1
InChIInChI=1S/C11H17NO.C10H12F3N/c1-4-9(5-2)10-6-11(13)8(3)12-7-10;1-6(2)8-5-14-7(3)4-9(8)10(11,12)13/h6-7,9,13H,4-5H2,1-3H3;4-6H,1-3H3
InChIKeyXCADMIIYDLYQMP-UHFFFAOYSA-N
MW382.47 g/mol
LogP6.53
Rot. Bonds4

About 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine

2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 143869962) has the molecular formula C21H29F3N2O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID143869962
Molecular FormulaC21H29F3N2O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCCC(CC)c1cnc(C)c(O)c1.Cc1cc(C(F)(F)F)c(C(C)C)cn1
InChIInChI=1S/C11H17NO.C10H12F3N/c1-4-9(5-2)10-6-11(13)8(3)12-7-10;1-6(2)8-5-14-7(3)4-9(8)10(11,12)13/h6-7,9,13H,4-5H2,1-3H3;4-6H,1-3H3
InChIKeyXCADMIIYDLYQMP-UHFFFAOYSA-N
XLogP6.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine (CID 143869962) is 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine is CCC(CC)c1cnc(C)c(O)c1.Cc1cc(C(F)(F)F)c(C(C)C)cn1.
What is the InChIKey of 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is XCADMIIYDLYQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C10H12F3N/c1-4-9(5-2)10-6-11(13)8(3)12-7-10;1-6(2)8-5-14-7(3)4-9(8)10(11,12)13/h6-7,9,13H,4-5H2,1-3H3;4-6H,1-3H3.
What are the key properties of 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine?
2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 382.47 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentan-3-ylpyridin-3-ol;2-methyl-5-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 143869962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).