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

C13H10BrNO — CID 2055944

IUPAC(5-bromo-3-pyridinyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C13H10BrNO/c1-9-2-4-10(5-3-9)13(16)11-6-12(14)8-15-7-11/h2-8H,1H3
InChIKeyAJZRSLVRFSCCIL-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.38
Rot. Bonds2

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

(5-bromo-3-pyridinyl)-(4-methylphenyl)methanone (PubChem CID 2055944) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-methylphenyl)methanone
PubChem CID2055944
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name(5-bromo-3-pyridinyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C13H10BrNO/c1-9-2-4-10(5-3-9)13(16)11-6-12(14)8-15-7-11/h2-8H,1H3
InChIKeyAJZRSLVRFSCCIL-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.38
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-methylphenyl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone (CID 2055944) is (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone?
The InChIKey is AJZRSLVRFSCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c1-9-2-4-10(5-3-9)13(16)11-6-12(14)8-15-7-11/h2-8H,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(4-methylphenyl)methanone?
(5-bromo-3-pyridinyl)-(4-methylphenyl)methanone has a molecular weight of 276.13 g/mol, XLogP of 3.38, 2 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-methylphenyl)methanone is sourced from PubChem (CID 2055944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).