1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol

C11H15F3N2O — CID 141299350

IUPAC1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol
SMILESC=CCNC(C1C(O)=CC=CN1C)C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-3-6-15-10(11(12,13)14)9-8(17)5-4-7-16(9)2/h3-5,7,9-10,15,17H,1,6H2,2H3
InChIKeyCUTZAFUNHODNAD-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.96
Rot. Bonds4

About 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol

1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol (PubChem CID 141299350) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol
PubChem CID141299350
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol
SMILESC=CCNC(C1C(O)=CC=CN1C)C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-3-6-15-10(11(12,13)14)9-8(17)5-4-7-16(9)2/h3-5,7,9-10,15,17H,1,6H2,2H3
InChIKeyCUTZAFUNHODNAD-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol?
The IUPAC name of 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol (CID 141299350) is 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol.
What is the SMILES notation for 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol?
The canonical SMILES for 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol is C=CCNC(C1C(O)=CC=CN1C)C(F)(F)F.
What is the InChIKey of 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol?
The InChIKey is CUTZAFUNHODNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-3-6-15-10(11(12,13)14)9-8(17)5-4-7-16(9)2/h3-5,7,9-10,15,17H,1,6H2,2H3.
What are the key properties of 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol?
1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol has a molecular weight of 248.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol is sourced from PubChem (CID 141299350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).