6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride

C8H5ClF3NO4 — CID 134666645

IUPAC6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
SMILESCOc1[nH]cc(C(=O)Cl)c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H5ClF3NO4/c1-16-7-5(17-8(10,11)12)4(14)3(2-13-7)6(9)15/h2H,1H3,(H,13,14)
InChIKeyVAVUJTIXKRIPTH-UHFFFAOYSA-N
MW271.58 g/mol
LogP1.66
Rot. Bonds3

About 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride

6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride (PubChem CID 134666645) has the molecular formula C8H5ClF3NO4 and a molecular weight of 271.58 g/mol. Its IUPAC name is 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
PubChem CID134666645
Molecular FormulaC8H5ClF3NO4
Molecular Weight271.58 g/mol
Exact Mass270.99
IUPAC Name6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
SMILESCOc1[nH]cc(C(=O)Cl)c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H5ClF3NO4/c1-16-7-5(17-8(10,11)12)4(14)3(2-13-7)6(9)15/h2H,1H3,(H,13,14)
InChIKeyVAVUJTIXKRIPTH-UHFFFAOYSA-N
XLogP1.66
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.58
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
CID 118810426
methyl 5-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134677251
methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134666527
6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118808776
methyl 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659856
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
4-methoxy-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118816254
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134665312
5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134677290
4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride
CID 45081639

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride (CID 134666645) is 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride is COc1[nH]cc(C(=O)Cl)c(=O)c1OC(F)(F)F.
What is the InChIKey of 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride?
The InChIKey is VAVUJTIXKRIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO4/c1-16-7-5(17-8(10,11)12)4(14)3(2-13-7)6(9)15/h2H,1H3,(H,13,14).
What are the key properties of 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride?
6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride has a molecular weight of 271.58 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 134666645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).