(5-bromo-3-pyridinyl) 3-phenylpropanoate

C14H12BrNO2 — CID 44583587

IUPAC(5-bromo-3-pyridinyl) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)Oc1cncc(Br)c1
InChIInChI=1S/C14H12BrNO2/c15-12-8-13(10-16-9-12)18-14(17)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyWSUGYLJFRFIPHC-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.38
Rot. Bonds4

About (5-bromo-3-pyridinyl) 3-phenylpropanoate

(5-bromo-3-pyridinyl) 3-phenylpropanoate (PubChem CID 44583587) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl) 3-phenylpropanoate.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl) 3-phenylpropanoate
PubChem CID44583587
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name(5-bromo-3-pyridinyl) 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)Oc1cncc(Br)c1
InChIInChI=1S/C14H12BrNO2/c15-12-8-13(10-16-9-12)18-14(17)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
InChIKeyWSUGYLJFRFIPHC-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 70464798
CID 70464798
3-bromo-5-phenylmethoxypyridine
CID 15389198
(4-fluorophenyl) 3-phenylpropanoate
CID 562084
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate
CID 157324077
3-bromo-5-(2-phenylethoxy)pyridine;tert-butyl N-methylcarbamate
CID 142256055
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
5-chloro-2-(3-phenylpropanoyloxy)benzoic acid
CID 54854781
phenyl 5-phenylpentanoate
CID 10944973
[2,6-dibromo-4-[2-[3,5-dibromo-4-(3-phenylpropanoyloxy)phenyl]propan-2-yl]phenyl] 3-phenylpropanoate
CID 3341578
(2,5-dimethylphenyl) 3-phenylpropanoate
CID 699916

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl) 3-phenylpropanoate?
The IUPAC name of (5-bromo-3-pyridinyl) 3-phenylpropanoate (CID 44583587) is (5-bromo-3-pyridinyl) 3-phenylpropanoate.
What is the SMILES notation for (5-bromo-3-pyridinyl) 3-phenylpropanoate?
The canonical SMILES for (5-bromo-3-pyridinyl) 3-phenylpropanoate is O=C(CCc1ccccc1)Oc1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl) 3-phenylpropanoate?
The InChIKey is WSUGYLJFRFIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-8-13(10-16-9-12)18-14(17)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2.
What are the key properties of (5-bromo-3-pyridinyl) 3-phenylpropanoate?
(5-bromo-3-pyridinyl) 3-phenylpropanoate has a molecular weight of 306.16 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl) 3-phenylpropanoate is sourced from PubChem (CID 44583587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).