(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone

C13H10BrNO — CID 118836322

IUPAC(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
SMILESCc1c(Br)cccc1C(=O)c1ccccn1
InChIInChI=1S/C13H10BrNO/c1-9-10(5-4-6-11(9)14)13(16)12-7-2-3-8-15-12/h2-8H,1H3
InChIKeyKOBNZJGPSRTEFO-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.38
Rot. Bonds2

About (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone

(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone (PubChem CID 118836322) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
PubChem CID118836322
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
SMILESCc1c(Br)cccc1C(=O)c1ccccn1
InChIInChI=1S/C13H10BrNO/c1-9-10(5-4-6-11(9)14)13(16)12-7-2-3-8-15-12/h2-8H,1H3
InChIKeyKOBNZJGPSRTEFO-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 (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone (CID 118836322) is (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone is Cc1c(Br)cccc1C(=O)c1ccccn1.
What is the InChIKey of (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone?
The InChIKey is KOBNZJGPSRTEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c1-9-10(5-4-6-11(9)14)13(16)12-7-2-3-8-15-12/h2-8H,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone?
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone 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 (3-bromo-2-methylphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 118836322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).