ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate

C14H12ClNO3 — CID 3055231

IUPACethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H12ClNO3/c1-2-18-14(17)13-8-7-12(9-16-13)19-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3
InChIKeyWRCVJCBJEBIBFI-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.70
Rot. Bonds4

About ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate

ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate (PubChem CID 3055231) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate
PubChem CID3055231
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Nameethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H12ClNO3/c1-2-18-14(17)13-8-7-12(9-16-13)19-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3
InChIKeyWRCVJCBJEBIBFI-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
Pyridin-2-ylmethyl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 1084316
(5-(4-Chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 24771740
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
Picolinic acid, 5-(m-chlorophenoxy)-
CID 3055226
5-Butoxypicolinic acid
CID 173872
6-Methylpyridin-3-yl 4-butoxybenzoate
CID 3245584
(4-Methoxycarbonylphenyl) pyridine-2-carboxylate
CID 2677992
5-Propoxypyridine-2-carboxylic acid
CID 12919808
5-(Cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 66691895
6-((4-Chlorophenoxy)methyl)picolinic acid
CID 106903207

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate (CID 3055231) is ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate is CCOC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate?
The InChIKey is WRCVJCBJEBIBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-2-18-14(17)13-8-7-12(9-16-13)19-11-5-3-10(15)4-6-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate?
ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate has a molecular weight of 277.71 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 3055231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).