2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol

C14H15F3N2O2 — CID 82885297

IUPAC2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol
SMILESCOc1cc(C)nc(Cn2ccc(C(O)C(F)(F)F)c2)c1
InChIInChI=1S/C14H15F3N2O2/c1-9-5-12(21-2)6-11(18-9)8-19-4-3-10(7-19)13(20)14(15,16)17/h3-7,13,20H,8H2,1-2H3
InChIKeyBRLIDGSUNKSZOW-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.84
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol

2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol (PubChem CID 82885297) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol
PubChem CID82885297
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol
SMILESCOc1cc(C)nc(Cn2ccc(C(O)C(F)(F)F)c2)c1
InChIInChI=1S/C14H15F3N2O2/c1-9-5-12(21-2)6-11(18-9)8-19-4-3-10(7-19)13(20)14(15,16)17/h3-7,13,20H,8H2,1-2H3
InChIKeyBRLIDGSUNKSZOW-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol (CID 82885297) is 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol is COc1cc(C)nc(Cn2ccc(C(O)C(F)(F)F)c2)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol?
The InChIKey is BRLIDGSUNKSZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9-5-12(21-2)6-11(18-9)8-19-4-3-10(7-19)13(20)14(15,16)17/h3-7,13,20H,8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol?
2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol has a molecular weight of 300.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 82885297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).