3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one

C7H6ClF2NO2 — CID 130072304

IUPAC3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]c(C(F)F)cc(=O)c1Cl
InChIInChI=1S/C7H6ClF2NO2/c1-13-7-5(8)4(12)2-3(11-7)6(9)10/h2,6H,1H3,(H,11,12)
InChIKeyLRGHVDCWHWMVRE-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.97
Rot. Bonds2

About 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one

3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one (PubChem CID 130072304) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
PubChem CID130072304
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
SMILESCOc1[nH]c(C(F)F)cc(=O)c1Cl
InChIInChI=1S/C7H6ClF2NO2/c1-13-7-5(8)4(12)2-3(11-7)6(9)10/h2,6H,1H3,(H,11,12)
InChIKeyLRGHVDCWHWMVRE-UHFFFAOYSA-N
XLogP1.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
2-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-4-one
CID 130072270
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
CID 55127526
4-chloro-3-(difluoromethyl)-6-methoxy-1H-pyridin-2-one
CID 118799845
6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
CID 103416536
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
2-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-4-one
CID 119002782
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
CID 62891407
2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 119005211
6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 130084088
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 130083350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one?
The IUPAC name of 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one (CID 130072304) is 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one is COc1[nH]c(C(F)F)cc(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one?
The InChIKey is LRGHVDCWHWMVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c1-13-7-5(8)4(12)2-3(11-7)6(9)10/h2,6H,1H3,(H,11,12).
What are the key properties of 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one?
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one has a molecular weight of 209.58 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 130072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).