2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one

C19H15F3N2O3 — CID 70825126

IUPAC2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(CO)[nH]1
InChIInChI=1S/C19H15F3N2O3/c1-11-8-17(26)18(16(10-25)24-11)13-4-7-15(23-9-13)12-2-5-14(6-3-12)27-19(20,21)22/h2-9,25H,10H2,1H3,(H,24,26)
InChIKeyJIBXQDDXEIBLQY-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.80
Rot. Bonds4

About 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one

2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one (PubChem CID 70825126) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one
PubChem CID70825126
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(CO)[nH]1
InChIInChI=1S/C19H15F3N2O3/c1-11-8-17(26)18(16(10-25)24-11)13-4-7-15(23-9-13)12-2-5-14(6-3-12)27-19(20,21)22/h2-9,25H,10H2,1H3,(H,24,26)
InChIKeyJIBXQDDXEIBLQY-UHFFFAOYSA-N
XLogP3.80
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one
CID 70989962
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
ethyl 4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinoline-3-carboxylate
CID 67889905
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
5-chloro-2-(hydroxymethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 161013775
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 168825593
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
CID 72557491
5-hex-1-ynyl-2-[4-(trifluoromethoxy)phenyl]pyridine
CID 19386237
5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996619
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one (CID 70825126) is 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one is Cc1cc(=O)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(CO)[nH]1.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The InChIKey is JIBXQDDXEIBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-8-17(26)18(16(10-25)24-11)13-4-7-15(23-9-13)12-2-5-14(6-3-12)27-19(20,21)22/h2-9,25H,10H2,1H3,(H,24,26).
What are the key properties of 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one has a molecular weight of 376.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one is sourced from PubChem (CID 70825126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).