ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate

C8H7Cl2NO3 — CID 122705836

IUPACethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc(Cl)c1O
InChIInChI=1S/C8H7Cl2NO3/c1-2-14-8(13)4-3-5(9)11-7(10)6(4)12/h3,12H,2H2,1H3
InChIKeyDJNHKCAXJRJLCR-UHFFFAOYSA-N
MW236.05 g/mol
LogP2.27
Rot. Bonds2

About ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate

ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate (PubChem CID 122705836) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
PubChem CID122705836
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Nameethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc(Cl)c1O
InChIInChI=1S/C8H7Cl2NO3/c1-2-14-8(13)4-3-5(9)11-7(10)6(4)12/h3,12H,2H2,1H3
InChIKeyDJNHKCAXJRJLCR-UHFFFAOYSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
CID 169206457
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
ethyl 2,3,5-trihydroxybenzoate
CID 139843169
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate?
The IUPAC name of ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate (CID 122705836) is ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate?
The canonical SMILES for ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate is CCOC(=O)c1cc(Cl)nc(Cl)c1O.
What is the InChIKey of ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate?
The InChIKey is DJNHKCAXJRJLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c1-2-14-8(13)4-3-5(9)11-7(10)6(4)12/h3,12H,2H2,1H3.
What are the key properties of ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate?
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate has a molecular weight of 236.05 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate is sourced from PubChem (CID 122705836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).