1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one

C19H18F3NO3 — CID 19092512

IUPAC1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one
SMILESCC(O)c1ccn(C2=CC(C)(C)Oc3ccc(C(F)(F)F)cc32)c(=O)c1
InChIInChI=1S/C19H18F3NO3/c1-11(24)12-6-7-23(17(25)8-12)15-10-18(2,3)26-16-5-4-13(9-14(15)16)19(20,21)22/h4-11,24H,1-3H3
InChIKeyPADDMHOMYWYHPH-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.98
Rot. Bonds2

About 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one

1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one (PubChem CID 19092512) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one
PubChem CID19092512
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one
SMILESCC(O)c1ccn(C2=CC(C)(C)Oc3ccc(C(F)(F)F)cc32)c(=O)c1
InChIInChI=1S/C19H18F3NO3/c1-11(24)12-6-7-23(17(25)8-12)15-10-18(2,3)26-16-5-4-13(9-14(15)16)19(20,21)22/h4-11,24H,1-3H3
InChIKeyPADDMHOMYWYHPH-UHFFFAOYSA-N
XLogP3.98
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one?
The IUPAC name of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one (CID 19092512) is 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one is CC(O)c1ccn(C2=CC(C)(C)Oc3ccc(C(F)(F)F)cc32)c(=O)c1.
What is the InChIKey of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one?
The InChIKey is PADDMHOMYWYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-11(24)12-6-7-23(17(25)8-12)15-10-18(2,3)26-16-5-4-13(9-14(15)16)19(20,21)22/h4-11,24H,1-3H3.
What are the key properties of 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one?
1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one has a molecular weight of 365.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-4-(1-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 19092512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).