pyridin-3-yl 5-bromofuran-2-carboxylate

C10H6BrNO3 — CID 5244119

IUPACpyridin-3-yl 5-bromofuran-2-carboxylate
SMILESO=C(Oc1cccnc1)c1ccc(Br)o1
InChIInChI=1S/C10H6BrNO3/c11-9-4-3-8(15-9)10(13)14-7-2-1-5-12-6-7/h1-6H
InChIKeyODFUJLVKQFRVBI-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.66
Rot. Bonds2

About pyridin-3-yl 5-bromofuran-2-carboxylate

pyridin-3-yl 5-bromofuran-2-carboxylate (PubChem CID 5244119) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is pyridin-3-yl 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 5-bromofuran-2-carboxylate
PubChem CID5244119
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Namepyridin-3-yl 5-bromofuran-2-carboxylate
SMILESO=C(Oc1cccnc1)c1ccc(Br)o1
InChIInChI=1S/C10H6BrNO3/c11-9-4-3-8(15-9)10(13)14-7-2-1-5-12-6-7/h1-6H
InChIKeyODFUJLVKQFRVBI-UHFFFAOYSA-N
XLogP2.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215056
(3-propan-2-yloxycarbonylphenyl) 5-bromofuran-2-carboxylate
CID 17162377
[4-(1,3,4-oxadiazol-2-yl)phenyl] 5-bromofuran-2-carboxylate
CID 18077233
[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl] 5-bromofuran-2-carboxylate
CID 6531291
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
[4-(2-methylpropoxycarbonyl)phenyl] 5-bromofuran-2-carboxylate
CID 17149583
5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
(2-nitrophenyl) 5-bromofuran-2-carboxylate
CID 833292

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 5-bromofuran-2-carboxylate?
The IUPAC name of pyridin-3-yl 5-bromofuran-2-carboxylate (CID 5244119) is pyridin-3-yl 5-bromofuran-2-carboxylate.
What is the SMILES notation for pyridin-3-yl 5-bromofuran-2-carboxylate?
The canonical SMILES for pyridin-3-yl 5-bromofuran-2-carboxylate is O=C(Oc1cccnc1)c1ccc(Br)o1.
What is the InChIKey of pyridin-3-yl 5-bromofuran-2-carboxylate?
The InChIKey is ODFUJLVKQFRVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-9-4-3-8(15-9)10(13)14-7-2-1-5-12-6-7/h1-6H.
What are the key properties of pyridin-3-yl 5-bromofuran-2-carboxylate?
pyridin-3-yl 5-bromofuran-2-carboxylate has a molecular weight of 268.07 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 5-bromofuran-2-carboxylate is sourced from PubChem (CID 5244119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).