ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate

C10H10N2O3 — CID 15599062

IUPACethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(C#N)cnc(C)c1O
InChIInChI=1S/C10H10N2O3/c1-3-15-10(14)8-7(4-11)5-12-6(2)9(8)13/h5,13H,3H2,1-2H3
InChIKeyBFKGLMYBILBSGV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.14
Rot. Bonds2

About ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate

ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate (PubChem CID 15599062) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate
PubChem CID15599062
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(C#N)cnc(C)c1O
InChIInChI=1S/C10H10N2O3/c1-3-15-10(14)8-7(4-11)5-12-6(2)9(8)13/h5,13H,3H2,1-2H3
InChIKeyBFKGLMYBILBSGV-UHFFFAOYSA-N
XLogP1.14
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-cyano-2-hydroxy-3-(hydroxymethyl)benzoate
CID 134644813
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
ethyl 4-cyano-2,3-dihydroxybenzoate
CID 131533373
ethyl 3-cyano-4-hydroxy-5-methoxybenzoate
CID 134644106
ethyl 4-cyano-6-fluoropyridine-3-carboxylate
CID 130863255
ethyl 2-bromo-6-cyano-4-hydroxybenzoate
CID 121227782
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 2-amino-6-cyanobenzoate
CID 91873808
ethyl 4-cyano-2-hydroxy-3-methylbenzoate
CID 131505282
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237
ethyl 2,6-diamino-3-cyanobenzoate
CID 134651442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate (CID 15599062) is ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate is CCOC(=O)c1c(C#N)cnc(C)c1O.
What is the InChIKey of ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate?
The InChIKey is BFKGLMYBILBSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-15-10(14)8-7(4-11)5-12-6(2)9(8)13/h5,13H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate?
ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate is sourced from PubChem (CID 15599062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).