methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate

C9H6F5NO4 — CID 134660809

IUPACmethyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1c(O)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6F5NO4/c1-18-8(17)4-3(16)2-15-5(7(10)11)6(4)19-9(12,13)14/h2,7,16H,1H3
InChIKeyDIEYGEZEIUTCOS-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.41
Rot. Bonds3

About methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate

methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 134660809) has the molecular formula C9H6F5NO4 and a molecular weight of 287.14 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID134660809
Molecular FormulaC9H6F5NO4
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Namemethyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1c(O)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6F5NO4/c1-18-8(17)4-3(16)2-15-5(7(10)11)6(4)19-9(12,13)14/h2,7,16H,1H3
InChIKeyDIEYGEZEIUTCOS-UHFFFAOYSA-N
XLogP2.41
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
methyl 5-hydroxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680560
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
methyl 5-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661548
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
methyl 2-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134668978
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378
methyl 5-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677546
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate (CID 134660809) is methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate is COC(=O)c1c(O)cnc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is DIEYGEZEIUTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO4/c1-18-8(17)4-3(16)2-15-5(7(10)11)6(4)19-9(12,13)14/h2,7,16H,1H3.
What are the key properties of methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate?
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate has a molecular weight of 287.14 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 134660809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).