2-(2,6-dibromo-4-cyanophenoxy)acetic acid

C9H5Br2NO3 — CID 18317846

IUPAC2-(2,6-dibromo-4-cyanophenoxy)acetic acid
SMILESN#Cc1cc(Br)c(OCC(=O)O)c(Br)c1
InChIInChI=1S/C9H5Br2NO3/c10-6-1-5(3-12)2-7(11)9(6)15-4-8(13)14/h1-2H,4H2,(H,13,14)
InChIKeyOTMSXDKUEJNFAB-UHFFFAOYSA-N
MW334.95 g/mol
LogP2.55
Rot. Bonds3

About 2-(2,6-dibromo-4-cyanophenoxy)acetic acid

2-(2,6-dibromo-4-cyanophenoxy)acetic acid (PubChem CID 18317846) has the molecular formula C9H5Br2NO3 and a molecular weight of 334.95 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-cyanophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,6-dibromo-4-cyanophenoxy)acetic acid
PubChem CID18317846
Molecular FormulaC9H5Br2NO3
Molecular Weight334.95 g/mol
Exact Mass332.86
IUPAC Name2-(2,6-dibromo-4-cyanophenoxy)acetic acid
SMILESN#Cc1cc(Br)c(OCC(=O)O)c(Br)c1
InChIInChI=1S/C9H5Br2NO3/c10-6-1-5(3-12)2-7(11)9(6)15-4-8(13)14/h1-2H,4H2,(H,13,14)
InChIKeyOTMSXDKUEJNFAB-UHFFFAOYSA-N
XLogP2.55
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.95
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(3-bromo-5-cyano-2-methoxyphenyl)acetic acid
CID 91902746
3-bromo-5-methoxy-4-phenacyloxybenzonitrile
CID 2975409
(2,6-dibromo-4-cyanophenyl) 2-(4-bromophenoxy)acetate
CID 4247718
(2-bromo-4-cyano-6-ethoxyphenyl) 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 24524803
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
2-[2,6-dibromo-4-[(Z)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]acetic acid
CID 124652335
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
3,5-dibromo-4-(phenylsulfanylmethoxy)benzonitrile
CID 15592009
3-(2-bromo-4-cyanophenoxy)propanoic acid
CID 175668379
3-acetyl-5-bromo-4-methoxybenzonitrile
CID 171005505
2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
CID 130156250

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-cyanophenoxy)acetic acid?
The IUPAC name of 2-(2,6-dibromo-4-cyanophenoxy)acetic acid (CID 18317846) is 2-(2,6-dibromo-4-cyanophenoxy)acetic acid.
What is the SMILES notation for 2-(2,6-dibromo-4-cyanophenoxy)acetic acid?
The canonical SMILES for 2-(2,6-dibromo-4-cyanophenoxy)acetic acid is N#Cc1cc(Br)c(OCC(=O)O)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-cyanophenoxy)acetic acid?
The InChIKey is OTMSXDKUEJNFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO3/c10-6-1-5(3-12)2-7(11)9(6)15-4-8(13)14/h1-2H,4H2,(H,13,14).
What are the key properties of 2-(2,6-dibromo-4-cyanophenoxy)acetic acid?
2-(2,6-dibromo-4-cyanophenoxy)acetic acid has a molecular weight of 334.95 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-cyanophenoxy)acetic acid is sourced from PubChem (CID 18317846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).