2-(2,6-dibromo-3-cyanophenyl)acetic acid

C9H5Br2NO2 — CID 130848799

IUPAC2-(2,6-dibromo-3-cyanophenyl)acetic acid
SMILESN#Cc1ccc(Br)c(CC(=O)O)c1Br
InChIInChI=1S/C9H5Br2NO2/c10-7-2-1-5(4-12)9(11)6(7)3-8(13)14/h1-2H,3H2,(H,13,14)
InChIKeyQMMXLDIHDFIDKT-UHFFFAOYSA-N
MW318.95 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,6-dibromo-3-cyanophenyl)acetic acid

2-(2,6-dibromo-3-cyanophenyl)acetic acid (PubChem CID 130848799) has the molecular formula C9H5Br2NO2 and a molecular weight of 318.95 g/mol. Its IUPAC name is 2-(2,6-dibromo-3-cyanophenyl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dibromo-3-cyanophenyl)acetic acid
PubChem CID130848799
Molecular FormulaC9H5Br2NO2
Molecular Weight318.95 g/mol
Exact Mass316.87
IUPAC Name2-(2,6-dibromo-3-cyanophenyl)acetic acid
SMILESN#Cc1ccc(Br)c(CC(=O)O)c1Br
InChIInChI=1S/C9H5Br2NO2/c10-7-2-1-5(4-12)9(11)6(7)3-8(13)14/h1-2H,3H2,(H,13,14)
InChIKeyQMMXLDIHDFIDKT-UHFFFAOYSA-N
XLogP2.71
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.95
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
CID 119021333
2-[2-bromo-6-(chloromethyl)-3-cyanophenyl]acetic acid
CID 131555683
2-[2-bromo-3-cyano-6-(trifluoromethyl)phenyl]acetic acid
CID 119005861
2-(2-bromo-3-cyano-6-formylphenyl)acetic acid
CID 119021513
2-(6-bromo-3-cyano-2-methoxyphenyl)acetic acid
CID 131336357
2-(2-bromo-6-cyano-3-fluorophenyl)acetic acid
CID 118998908
2-[2-bromo-3-(bromomethyl)-6-cyanophenyl]acetic acid
CID 131471476
2-(3-bromo-6-cyano-2-methoxyphenyl)acetic acid
CID 131336345
2-(3-bromo-4-cyano-2-fluorophenyl)acetic acid
CID 130776363
2-(2-bromo-4-cyano-3-fluorophenyl)acetic acid
CID 118999427
2-(aminomethyl)-3-bromo-6-cyanobenzoic acid
CID 131191145
2-(3-cyano-2,6-diethylphenyl)acetic acid
CID 135742920

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-3-cyanophenyl)acetic acid?
The IUPAC name of 2-(2,6-dibromo-3-cyanophenyl)acetic acid (CID 130848799) is 2-(2,6-dibromo-3-cyanophenyl)acetic acid.
What is the SMILES notation for 2-(2,6-dibromo-3-cyanophenyl)acetic acid?
The canonical SMILES for 2-(2,6-dibromo-3-cyanophenyl)acetic acid is N#Cc1ccc(Br)c(CC(=O)O)c1Br.
What is the InChIKey of 2-(2,6-dibromo-3-cyanophenyl)acetic acid?
The InChIKey is QMMXLDIHDFIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO2/c10-7-2-1-5(4-12)9(11)6(7)3-8(13)14/h1-2H,3H2,(H,13,14).
What are the key properties of 2-(2,6-dibromo-3-cyanophenyl)acetic acid?
2-(2,6-dibromo-3-cyanophenyl)acetic acid has a molecular weight of 318.95 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-3-cyanophenyl)acetic acid is sourced from PubChem (CID 130848799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).