methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate

C9H6F5NO3 — CID 133101747

IUPACmethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)(F)F)c(O)c1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-8(17)3-2-15-6(9(12,13)14)5(16)4(3)7(10)11/h2,7,16H,1H3
InChIKeySFZKJMJCWQRXMX-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.53
Rot. Bonds2

About methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 133101747) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID133101747
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Namemethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)(F)F)c(O)c1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-8(17)3-2-15-6(9(12,13)14)5(16)4(3)7(10)11/h2,7,16H,1H3
InChIKeySFZKJMJCWQRXMX-UHFFFAOYSA-N
XLogP2.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913
methyl 5-cyano-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133106211
methyl 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133100970
methyl 2-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133102502
methyl 4-(difluoromethyl)-5-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659266
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130104324
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate (CID 133101747) is methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1cnc(C(F)(F)F)c(O)c1C(F)F.
What is the InChIKey of methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is SFZKJMJCWQRXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-18-8(17)3-2-15-6(9(12,13)14)5(16)4(3)7(10)11/h2,7,16H,1H3.
What are the key properties of methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 271.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 133101747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).