6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol

C11H15F3N2O — CID 79039999

IUPAC6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-10(17)9(16-8)7-15-6-2-5-11(12,13)14/h3-4,15,17H,2,5-7H2,1H3
InChIKeyYIMUIVNWMMITHH-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.53
Rot. Bonds5

About 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol

6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol (PubChem CID 79039999) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol
PubChem CID79039999
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-10(17)9(16-8)7-15-6-2-5-11(12,13)14/h3-4,15,17H,2,5-7H2,1H3
InChIKeyYIMUIVNWMMITHH-UHFFFAOYSA-N
XLogP2.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol (CID 79039999) is 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNCCCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol?
The InChIKey is YIMUIVNWMMITHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-3-4-10(17)9(16-8)7-15-6-2-5-11(12,13)14/h3-4,15,17H,2,5-7H2,1H3.
What are the key properties of 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol?
6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol has a molecular weight of 248.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4,4,4-trifluorobutylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79039999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).