2-(2-chloro-4-cyano-6-methylphenyl)acetic acid

C10H8ClNO2 — CID 119008534

IUPAC2-(2-chloro-4-cyano-6-methylphenyl)acetic acid
SMILESCc1cc(C#N)cc(Cl)c1CC(=O)O
InChIInChI=1S/C10H8ClNO2/c1-6-2-7(5-12)3-9(11)8(6)4-10(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyAVRBJLZDTKRWJO-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid

2-(2-chloro-4-cyano-6-methylphenyl)acetic acid (PubChem CID 119008534) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-cyano-6-methylphenyl)acetic acid
PubChem CID119008534
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name2-(2-chloro-4-cyano-6-methylphenyl)acetic acid
SMILESCc1cc(C#N)cc(Cl)c1CC(=O)O
InChIInChI=1S/C10H8ClNO2/c1-6-2-7(5-12)3-9(11)8(6)4-10(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyAVRBJLZDTKRWJO-UHFFFAOYSA-N
XLogP2.15
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid (CID 119008534) is 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid is Cc1cc(C#N)cc(Cl)c1CC(=O)O.
What is the InChIKey of 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid?
The InChIKey is AVRBJLZDTKRWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-2-7(5-12)3-9(11)8(6)4-10(13)14/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid?
2-(2-chloro-4-cyano-6-methylphenyl)acetic acid has a molecular weight of 209.63 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyano-6-methylphenyl)acetic acid is sourced from PubChem (CID 119008534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).