6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one

C8H7ClF3NO3 — CID 130111759

IUPAC6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c(OC(F)(F)F)cc(CCl)[nH]c1=O
InChIInChI=1S/C8H7ClF3NO3/c1-15-6-5(16-8(10,11)12)2-4(3-9)13-7(6)14/h2H,3H2,1H3,(H,13,14)
InChIKeyRLAHEFPDUJJWMV-UHFFFAOYSA-N
MW257.59 g/mol
LogP2.02
Rot. Bonds3

About 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one

6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130111759) has the molecular formula C8H7ClF3NO3 and a molecular weight of 257.59 g/mol. Its IUPAC name is 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130111759
Molecular FormulaC8H7ClF3NO3
Molecular Weight257.59 g/mol
Exact Mass257.01
IUPAC Name6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c(OC(F)(F)F)cc(CCl)[nH]c1=O
InChIInChI=1S/C8H7ClF3NO3/c1-15-6-5(16-8(10,11)12)2-4(3-9)13-7(6)14/h2H,3H2,1H3,(H,13,14)
InChIKeyRLAHEFPDUJJWMV-UHFFFAOYSA-N
XLogP2.02
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.59
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-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

2-[6-(chloromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134667110
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
6-(chloromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112451
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134677601
6-(chloromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 134666875
methyl 2-[5-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134663085
6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134663823
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
methyl 2-[6-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134679042
2-[6-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 118826793

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 130111759) is 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one is COc1c(OC(F)(F)F)cc(CCl)[nH]c1=O.
What is the InChIKey of 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is RLAHEFPDUJJWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO3/c1-15-6-5(16-8(10,11)12)2-4(3-9)13-7(6)14/h2H,3H2,1H3,(H,13,14).
What are the key properties of 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 257.59 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130111759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).