ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate

C15H11ClN2O3 — CID 31536724

IUPACethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C#N)cc2Cl)nc1
InChIInChI=1S/C15H11ClN2O3/c1-2-20-15(19)11-4-6-14(18-9-11)21-13-5-3-10(8-17)7-12(13)16/h3-7,9H,2H2,1H3
InChIKeyVBUILLPFHNXWCW-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.58
Rot. Bonds4

About ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate

ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate (PubChem CID 31536724) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
PubChem CID31536724
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Nameethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C#N)cc2Cl)nc1
InChIInChI=1S/C15H11ClN2O3/c1-2-20-15(19)11-4-6-14(18-9-11)21-13-5-3-10(8-17)7-12(13)16/h3-7,9H,2H2,1H3
InChIKeyVBUILLPFHNXWCW-UHFFFAOYSA-N
XLogP3.58
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
ethyl 3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoate
CID 66818619
ethyl 6-[2-chloro-4-[1-(trifluoromethyl)cyclopropyl]phenoxy]pyridine-3-carboxylate
CID 142415214
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
ethyl 2-(2-chloro-4-cyanophenoxy)-2-fluoroacetate
CID 79356473
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate (CID 31536724) is ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(C#N)cc2Cl)nc1.
What is the InChIKey of ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate?
The InChIKey is VBUILLPFHNXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-2-20-15(19)11-4-6-14(18-9-11)21-13-5-3-10(8-17)7-12(13)16/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate?
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate has a molecular weight of 302.72 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 31536724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).