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

C18H18BrNO — CID 43338411

IUPAC(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C18H18BrNO/c19-17-10-16(11-20-12-17)18(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2
InChIKeyWMKDPUVNGYXNMY-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.12
Rot. Bonds3

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

(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone (PubChem CID 43338411) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
PubChem CID43338411
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)c1cncc(Br)c1
InChIInChI=1S/C18H18BrNO/c19-17-10-16(11-20-12-17)18(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2
InChIKeyWMKDPUVNGYXNMY-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116597248
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
(2-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116505708
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone
CID 137329421

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone (CID 43338411) is (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone is O=C(c1ccc(C2CCCCC2)cc1)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone?
The InChIKey is WMKDPUVNGYXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-17-10-16(11-20-12-17)18(21)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2.
What are the key properties of (5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone?
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone has a molecular weight of 344.25 g/mol, XLogP of 5.12, 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-cyclohexylphenyl)methanone is sourced from PubChem (CID 43338411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).