4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one

C8H9F2NO2 — CID 118812463

IUPAC4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(CO)c(=O)[nH]1
InChIInChI=1S/C8H9F2NO2/c1-4-2-5(7(9)10)6(3-12)8(13)11-4/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeySNHGSHADAHFYCM-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.11
Rot. Bonds2

About 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one

4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one (PubChem CID 118812463) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
PubChem CID118812463
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(F)F)c(CO)c(=O)[nH]1
InChIInChI=1S/C8H9F2NO2/c1-4-2-5(7(9)10)6(3-12)8(13)11-4/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeySNHGSHADAHFYCM-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093525
2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118807000
2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118806945
5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133102509
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
3-(aminomethyl)-6-bromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110189
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130083780
4-(difluoromethyl)-6-(hydroxymethyl)-3-iodo-1H-pyridin-2-one
CID 118835424
4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one (CID 118812463) is 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one is Cc1cc(C(F)F)c(CO)c(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is SNHGSHADAHFYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-2-5(7(9)10)6(3-12)8(13)11-4/h2,7,12H,3H2,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one?
4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 189.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-(hydroxymethyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118812463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).