ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate

C10H11F2NO3 — CID 133103420

IUPACethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)c(O)cc1C(F)F
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)8-6(9(11)12)4-7(14)5(2)13-8/h4,9,14H,3H2,1-2H3
InChIKeyJJBZDZLWUBQQOS-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.21
Rot. Bonds3

About ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate

ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate (PubChem CID 133103420) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate
PubChem CID133103420
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)c(O)cc1C(F)F
InChIInChI=1S/C10H11F2NO3/c1-3-16-10(15)8-6(9(11)12)4-7(14)5(2)13-8/h4,9,14H,3H2,1-2H3
InChIKeyJJBZDZLWUBQQOS-UHFFFAOYSA-N
XLogP2.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-6-methylpicolinic acid
CID 281704
Methyl 6-fluoro-5-hydroxypyridine-2-carboxylate
CID 129915567
Ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 139117344
Dimethyl 4-(hydroxymethyl)pyridine-2,6-dicarboxylate
CID 11436049
6-(4-Fluorophenyl)-5-methoxy-2-pyridinecarboxylic acid
CID 23657912
Methyl 6-(4-fluorophenyl)-5-methoxy-2-pyridinecarboxylate
CID 50903557
Methyl 6-(2,6-difluoro-3-hydroxyphenyl)picolinate
CID 59226413
Methyl 6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropicolinate
CID 59226549
5-(Difluoromethoxy)-3-methylpicolinic acid
CID 66666313
5-(Fluoromethoxy)-3-methylpyridine-2-carboxylic acid
CID 66666325
Methyl 6-[3-(benzyloxy)-4-(trifluoromethyl)phenyl]-5-hydroxypyridine-2-carboxylate
CID 66720930
5-Methoxy-3-(trifluoromethyl)picolinic acid
CID 68111324

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate (CID 133103420) is ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate is CCOC(=O)c1nc(C)c(O)cc1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate?
The InChIKey is JJBZDZLWUBQQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-3-16-10(15)8-6(9(11)12)4-7(14)5(2)13-8/h4,9,14H,3H2,1-2H3.
What are the key properties of ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate?
ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-5-hydroxy-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 133103420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).