methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate

C10H11F3N2O3 — CID 113243750

IUPACmethyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC(O)C(F)(F)F)ccn1
InChIInChI=1S/C10H11F3N2O3/c1-18-9(17)7-4-6(2-3-14-7)15-5-8(16)10(11,12)13/h2-4,8,16H,5H2,1H3,(H,14,15)
InChIKeyIEYSIKRESLGUNQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.20
Rot. Bonds4

About methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate

methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate (PubChem CID 113243750) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
PubChem CID113243750
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Namemethyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC(O)C(F)(F)F)ccn1
InChIInChI=1S/C10H11F3N2O3/c1-18-9(17)7-4-6(2-3-14-7)15-5-8(16)10(11,12)13/h2-4,8,16H,5H2,1H3,(H,14,15)
InChIKeyIEYSIKRESLGUNQ-UHFFFAOYSA-N
XLogP1.20
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate (CID 113243750) is methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate is COC(=O)c1cc(NCC(O)C(F)(F)F)ccn1.
What is the InChIKey of methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate?
The InChIKey is IEYSIKRESLGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-18-9(17)7-4-6(2-3-14-7)15-5-8(16)10(11,12)13/h2-4,8,16H,5H2,1H3,(H,14,15).
What are the key properties of methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate?
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate has a molecular weight of 264.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 113243750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).