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

C10H13F3N2O — CID 79033199

IUPAC6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-7-2-3-9(16)8(15-7)6-14-5-4-10(11,12)13/h2-3,14,16H,4-6H2,1H3
InChIKeyXRGVLQDDVZJIGY-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.14
Rot. Bonds4

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

6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol (PubChem CID 79033199) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
PubChem CID79033199
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-7-2-3-9(16)8(15-7)6-14-5-4-10(11,12)13/h2-3,14,16H,4-6H2,1H3
InChIKeyXRGVLQDDVZJIGY-UHFFFAOYSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.14
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-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol (CID 79033199) is 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNCCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
The InChIKey is XRGVLQDDVZJIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-2-3-9(16)8(15-7)6-14-5-4-10(11,12)13/h2-3,14,16H,4-6H2,1H3.
What are the key properties of 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol has a molecular weight of 234.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79033199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).