(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone

C13H9BrFNO — CID 114963527

IUPAC(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cncc(F)c2)c1
InChIInChI=1S/C13H9BrFNO/c1-8-2-3-12(14)11(4-8)13(17)9-5-10(15)7-16-6-9/h2-7H,1H3
InChIKeyPZRLILHGPDRQAO-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.52
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone

(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 114963527) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID114963527
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2cncc(F)c2)c1
InChIInChI=1S/C13H9BrFNO/c1-8-2-3-12(14)11(4-8)13(17)9-5-10(15)7-16-6-9/h2-7H,1H3
InChIKeyPZRLILHGPDRQAO-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 116602928
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772
(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081876
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone (CID 114963527) is (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone is Cc1ccc(Br)c(C(=O)c2cncc(F)c2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is PZRLILHGPDRQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c1-8-2-3-12(14)11(4-8)13(17)9-5-10(15)7-16-6-9/h2-7H,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone?
(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 294.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 114963527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).