ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate

C14H11Cl2NO3 — CID 133092814

IUPACethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(O)cncc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c1-2-20-14(19)13-9(6-17-7-12(13)18)8-3-4-10(15)11(16)5-8/h3-7,18H,2H2,1H3
InChIKeySRWWGYJYABYJNW-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.94
Rot. Bonds3

About ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate

ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate (PubChem CID 133092814) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
PubChem CID133092814
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Nameethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
SMILESCCOC(=O)c1c(O)cncc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO3/c1-2-20-14(19)13-9(6-17-7-12(13)18)8-3-4-10(15)11(16)5-8/h3-7,18H,2H2,1H3
InChIKeySRWWGYJYABYJNW-UHFFFAOYSA-N
XLogP3.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
CID 169258499
ethyl 4-(3,4-dichlorophenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
CID 121234846
ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 57360994
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
CID 170604899
ethyl 4-(3-hydroxy-4-pyridinyl)benzoate
CID 58941031
ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
CID 46242291
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate?
The IUPAC name of ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate (CID 133092814) is ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate is CCOC(=O)c1c(O)cncc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate?
The InChIKey is SRWWGYJYABYJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-2-20-14(19)13-9(6-17-7-12(13)18)8-3-4-10(15)11(16)5-8/h3-7,18H,2H2,1H3.
What are the key properties of ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate?
ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate has a molecular weight of 312.15 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate is sourced from PubChem (CID 133092814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).