1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone

C14H11BrClNO — CID 112655349

IUPAC1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1ccncc1Cl
InChIInChI=1S/C14H11BrClNO/c1-9-11(3-2-4-12(9)15)14(18)7-10-5-6-17-8-13(10)16/h2-6,8H,7H2,1H3
InChIKeyQQFGUKKISLAUQU-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone

1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone (PubChem CID 112655349) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
PubChem CID112655349
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESCc1c(Br)cccc1C(=O)Cc1ccncc1Cl
InChIInChI=1S/C14H11BrClNO/c1-9-11(3-2-4-12(9)15)14(18)7-10-5-6-17-8-13(10)16/h2-6,8H,7H2,1H3
InChIKeyQQFGUKKISLAUQU-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
CID 106854794
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
1-(3-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448267
1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967563
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
CID 112655394
1-(3-bromo-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979463

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone (CID 112655349) is 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone is Cc1c(Br)cccc1C(=O)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is QQFGUKKISLAUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-11(3-2-4-12(9)15)14(18)7-10-5-6-17-8-13(10)16/h2-6,8H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 324.61 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 112655349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).