2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid

C9H5BrClNO2 — CID 119021333

IUPAC2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
SMILESN#Cc1ccc(Cl)c(CC(=O)O)c1Br
InChIInChI=1S/C9H5BrClNO2/c10-9-5(4-12)1-2-7(11)6(9)3-8(13)14/h1-2H,3H2,(H,13,14)
InChIKeyIPZCENAAXZLCAI-UHFFFAOYSA-N
MW274.50 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid

2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid (PubChem CID 119021333) has the molecular formula C9H5BrClNO2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
PubChem CID119021333
Molecular FormulaC9H5BrClNO2
Molecular Weight274.50 g/mol
Exact Mass272.92
IUPAC Name2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
SMILESN#Cc1ccc(Cl)c(CC(=O)O)c1Br
InChIInChI=1S/C9H5BrClNO2/c10-9-5(4-12)1-2-7(11)6(9)3-8(13)14/h1-2H,3H2,(H,13,14)
InChIKeyIPZCENAAXZLCAI-UHFFFAOYSA-N
XLogP2.60
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromo-3-cyanophenyl)acetic acid
CID 130848799
2-(2,6-dichloro-3-cyanophenyl)acetic acid
CID 121278950
2-[2-bromo-6-(chloromethyl)-3-cyanophenyl]acetic acid
CID 131555683
2-(2-amino-6-chloro-3-cyanophenyl)acetic acid
CID 171021483
2-[6-chloro-2-(chloromethyl)-3-cyanophenyl]acetic acid
CID 131479799
2-[2-bromo-3-cyano-6-(trifluoromethyl)phenyl]acetic acid
CID 119005861
2-(2-bromo-3-cyano-6-formylphenyl)acetic acid
CID 119021513
2-(3-bromo-4-cyano-2-fluorophenyl)acetic acid
CID 130776363
2-[2-bromo-3-(bromomethyl)-6-cyanophenyl]acetic acid
CID 131471476
2-(2-bromo-6-cyano-3-fluorophenyl)acetic acid
CID 118998908
2-[2-chloro-3-(chloromethyl)-4-cyanophenyl]acetic acid
CID 131469105
2-(2-bromo-4-cyano-3-fluorophenyl)acetic acid
CID 118999427

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid?
The IUPAC name of 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid (CID 119021333) is 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid is N#Cc1ccc(Cl)c(CC(=O)O)c1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid?
The InChIKey is IPZCENAAXZLCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO2/c10-9-5(4-12)1-2-7(11)6(9)3-8(13)14/h1-2H,3H2,(H,13,14).
What are the key properties of 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid?
2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid has a molecular weight of 274.50 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid is sourced from PubChem (CID 119021333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).