dipropyl 4-bromopyridine-2,6-dicarboxylate

C13H16BrNO4 — CID 102532090

IUPACdipropyl 4-bromopyridine-2,6-dicarboxylate
SMILESCCCOC(=O)c1cc(Br)cc(C(=O)OCCC)n1
InChIInChI=1S/C13H16BrNO4/c1-3-5-18-12(16)10-7-9(14)8-11(15-10)13(17)19-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyBJMWGDZZJMSFDB-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.98
Rot. Bonds6

About dipropyl 4-bromopyridine-2,6-dicarboxylate

dipropyl 4-bromopyridine-2,6-dicarboxylate (PubChem CID 102532090) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is dipropyl 4-bromopyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedipropyl 4-bromopyridine-2,6-dicarboxylate
PubChem CID102532090
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Namedipropyl 4-bromopyridine-2,6-dicarboxylate
SMILESCCCOC(=O)c1cc(Br)cc(C(=O)OCCC)n1
InChIInChI=1S/C13H16BrNO4/c1-3-5-18-12(16)10-7-9(14)8-11(15-10)13(17)19-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyBJMWGDZZJMSFDB-UHFFFAOYSA-N
XLogP2.98
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropyl 4-bromopyridine-2,6-dicarboxylate?
The IUPAC name of dipropyl 4-bromopyridine-2,6-dicarboxylate (CID 102532090) is dipropyl 4-bromopyridine-2,6-dicarboxylate.
What is the SMILES notation for dipropyl 4-bromopyridine-2,6-dicarboxylate?
The canonical SMILES for dipropyl 4-bromopyridine-2,6-dicarboxylate is CCCOC(=O)c1cc(Br)cc(C(=O)OCCC)n1.
What is the InChIKey of dipropyl 4-bromopyridine-2,6-dicarboxylate?
The InChIKey is BJMWGDZZJMSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-3-5-18-12(16)10-7-9(14)8-11(15-10)13(17)19-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of dipropyl 4-bromopyridine-2,6-dicarboxylate?
dipropyl 4-bromopyridine-2,6-dicarboxylate has a molecular weight of 330.18 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 4-bromopyridine-2,6-dicarboxylate is sourced from PubChem (CID 102532090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).