ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate

C14H12N4O3 — CID 169325893

IUPACethyl 2-(4-azidophenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2ccc(N=[N+]=[N-])cc2)c1
InChIInChI=1S/C14H12N4O3/c1-2-20-14(19)10-7-8-16-13(9-10)21-12-5-3-11(4-6-12)17-18-15/h3-9H,2H2,1H3
InChIKeyFHGHHLFKGXXFPL-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.99
Rot. Bonds5

About ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate

ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate (PubChem CID 169325893) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-azidophenoxy)pyridine-4-carboxylate
PubChem CID169325893
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Nameethyl 2-(4-azidophenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2ccc(N=[N+]=[N-])cc2)c1
InChIInChI=1S/C14H12N4O3/c1-2-20-14(19)10-7-8-16-13(9-10)21-12-5-3-11(4-6-12)17-18-15/h3-9H,2H2,1H3
InChIKeyFHGHHLFKGXXFPL-UHFFFAOYSA-N
XLogP3.99
TPSA97.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-azidophenoxy)pyridine-4-carboxylate
CID 169325853
ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate
CID 168527232
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
diethyl 5-azidobenzene-1,3-dicarboxylate
CID 21327938
ethyl 2-[3-[(1-amino-2-chloroethylidene)amino]phenoxy]pyridine-4-carboxylate
CID 169368008
ethyl 3-azido-5-chlorobenzoate
CID 150920068
ethyl 4-azido-3-methylbenzoate
CID 122215980
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
CID 168522708
pentyl 4-azidobenzoate
CID 141242648
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
2-(4-aminophenoxy)pyridine-4-carboxamide
CID 54909039

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate (CID 169325893) is ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2ccc(N=[N+]=[N-])cc2)c1.
What is the InChIKey of ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate?
The InChIKey is FHGHHLFKGXXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-2-20-14(19)10-7-8-16-13(9-10)21-12-5-3-11(4-6-12)17-18-15/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate?
ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 169325893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).