ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate

C14H12BrNO3 — CID 169336832

IUPACethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrNO3/c1-2-18-14(17)10-6-7-16-13(8-10)19-12-5-3-4-11(15)9-12/h3-9H,2H2,1H3
InChIKeyISMTXMGKUPNZQP-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.81
Rot. Bonds4

About ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate

ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate (PubChem CID 169336832) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
PubChem CID169336832
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Nameethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Oc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrNO3/c1-2-18-14(17)10-6-7-16-13(8-10)19-12-5-3-4-11(15)9-12/h3-9H,2H2,1H3
InChIKeyISMTXMGKUPNZQP-UHFFFAOYSA-N
XLogP3.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
ethyl 2-(3-azidophenoxy)pyridine-4-carboxylate
CID 169325853
ethyl 2-[3-[(1-amino-2-chloroethylidene)amino]phenoxy]pyridine-4-carboxylate
CID 169368008
ethyl 2-[3-[(2-cyanoacetyl)amino]phenoxy]pyridine-4-carboxylate
CID 168522708
ethyl 2-[4-(furan-2-yl)phenoxy]pyridine-4-carboxylate
CID 168527232
ethyl 2-(4-azidophenoxy)pyridine-4-carboxylate
CID 169325893
ethyl 2-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenoxy]pyridine-4-carboxylate
CID 169329828
ethyl 3-(3-bromophenoxy)-5-[(3-methylphenoxy)methyl]benzoate
CID 101238152
ethyl 2-(4-bromophenyl)sulfanylpyridine-4-carboxylate
CID 169336860
2-(3-bromophenoxy)-4-(chloromethyl)pyridine
CID 61267518
diethyl benzene-1,3-dicarboxylate
CID 12491
methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
CID 168652704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate (CID 169336832) is ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Oc2cccc(Br)c2)c1.
What is the InChIKey of ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate?
The InChIKey is ISMTXMGKUPNZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-2-18-14(17)10-6-7-16-13(8-10)19-12-5-3-4-11(15)9-12/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate?
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate has a molecular weight of 322.16 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate is sourced from PubChem (CID 169336832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).