(5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone

C14H12BrNO — CID 3089187

IUPAC(5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H12BrNO/c1-2-10-3-5-11(6-4-10)14(17)12-7-13(15)9-16-8-12/h3-9H,2H2,1H3
InChIKeyLVEXQFBVZXNTGJ-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.64
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone

(5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone (PubChem CID 3089187) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone
PubChem CID3089187
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name(5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H12BrNO/c1-2-10-3-5-11(6-4-10)14(17)12-7-13(15)9-16-8-12/h3-9H,2H2,1H3
InChIKeyLVEXQFBVZXNTGJ-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone (CID 3089187) is (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone?
The InChIKey is LVEXQFBVZXNTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-2-10-3-5-11(6-4-10)14(17)12-7-13(15)9-16-8-12/h3-9H,2H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone?
(5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone has a molecular weight of 290.16 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 3089187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).