3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one

C8H9F2NO3 — CID 130083413

IUPAC3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(CO)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H9F2NO3/c1-14-6-4(3-12)2-11-8(13)5(6)7(9)10/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeyLTGVFHOCHXBCCT-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.81
Rot. Bonds3

About 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one

3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one (PubChem CID 130083413) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
PubChem CID130083413
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1c(CO)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H9F2NO3/c1-14-6-4(3-12)2-11-8(13)5(6)7(9)10/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeyLTGVFHOCHXBCCT-UHFFFAOYSA-N
XLogP0.81
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 130083210
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 130083415
4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
CID 133103019
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one (CID 130083413) is 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one is COc1c(CO)c[nH]c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
The InChIKey is LTGVFHOCHXBCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-6-4(3-12)2-11-8(13)5(6)7(9)10/h2,7,12H,3H2,1H3,(H,11,13).
What are the key properties of 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one has a molecular weight of 205.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130083413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).