3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride

C8H5ClF3NO4 — CID 134677733

IUPAC3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCOc1cc(O)c(C(=O)Cl)nc1OC(F)(F)F
InChIInChI=1S/C8H5ClF3NO4/c1-16-4-2-3(14)5(6(9)15)13-7(4)17-8(10,11)12/h2,14H,1H3
InChIKeyPVWXYPVRIAZRTR-UHFFFAOYSA-N
MW271.58 g/mol
LogP2.07
Rot. Bonds3

About 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride

3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 134677733) has the molecular formula C8H5ClF3NO4 and a molecular weight of 271.58 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID134677733
Molecular FormulaC8H5ClF3NO4
Molecular Weight271.58 g/mol
Exact Mass270.99
IUPAC Name3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCOc1cc(O)c(C(=O)Cl)nc1OC(F)(F)F
InChIInChI=1S/C8H5ClF3NO4/c1-16-4-2-3(14)5(6(9)15)13-7(4)17-8(10,11)12/h2,14H,1H3
InChIKeyPVWXYPVRIAZRTR-UHFFFAOYSA-N
XLogP2.07
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-3-methoxy-6-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659583
methyl 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
methyl 2-(fluoromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677011
methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677279
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679365
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134667582
5-(chloromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681159
6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134670306
6-methoxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679364
3-hydroxy-6-methoxy-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659587

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 134677733) is 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride is COc1cc(O)c(C(=O)Cl)nc1OC(F)(F)F.
What is the InChIKey of 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is PVWXYPVRIAZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO4/c1-16-4-2-3(14)5(6(9)15)13-7(4)17-8(10,11)12/h2,14H,1H3.
What are the key properties of 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 271.58 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134677733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).