pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate

C15H14BrNO2 — CID 135063394

IUPACpyridin-2-ylmethyl 2-(4-bromophenyl)propanoate
SMILESCC(C(=O)OCc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-11(12-5-7-13(16)8-6-12)15(18)19-10-14-4-2-3-9-17-14/h2-9,11H,10H2,1H3
InChIKeyPNWYQOAMNOHRNK-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.69
Rot. Bonds4

About pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate

pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate (PubChem CID 135063394) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(4-bromophenyl)propanoate
PubChem CID135063394
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namepyridin-2-ylmethyl 2-(4-bromophenyl)propanoate
SMILESCC(C(=O)OCc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-11(12-5-7-13(16)8-6-12)15(18)19-10-14-4-2-3-9-17-14/h2-9,11H,10H2,1H3
InChIKeyPNWYQOAMNOHRNK-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-Bromophenyl)-2-oxoethyl pyridine-2-carboxylate
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(4-Bromophenyl)methyl pyridine-4-carboxylate
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[2-(2-Bromophenyl)-2-oxoethyl] pyridine-2-carboxylate
CID 2412682
(3-Pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl 4-bromobenzoate
CID 2999072
1-(2-pyridinyl)ethanone O-(4-bromobenzoyl)oxime
CID 5730595
[2-(3-Bromophenyl)-2-oxoethyl] pyridine-2-carboxylate
CID 23994661
(Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)
CID 39093
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CID 3038979

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate?
The IUPAC name of pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate (CID 135063394) is pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate?
The canonical SMILES for pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate is CC(C(=O)OCc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate?
The InChIKey is PNWYQOAMNOHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-11(12-5-7-13(16)8-6-12)15(18)19-10-14-4-2-3-9-17-14/h2-9,11H,10H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate?
pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate has a molecular weight of 320.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(4-bromophenyl)propanoate is sourced from PubChem (CID 135063394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).