2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid

C11H10ClNO2 — CID 117049468

IUPAC2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid
SMILESCC(CC#N)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H10ClNO2/c1-11(6-7-13,10(14)15)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyFNWJMQXKTWKEIW-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid

2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid (PubChem CID 117049468) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid
PubChem CID117049468
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid
SMILESCC(CC#N)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H10ClNO2/c1-11(6-7-13,10(14)15)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyFNWJMQXKTWKEIW-UHFFFAOYSA-N
XLogP2.60
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(diethylamino)propanoic acid
CID 43803614
4-cyano-2-methyl-2-(2-methylphenyl)butanoic acid
CID 117049603
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
CID 96566549
[(2-chlorophenyl)-diphenylmethyl] 2-cyanoacetate
CID 57465007
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
3-cyano-2-(4-cyclopropylphenyl)-2-methylpropanoic acid
CID 117049443
2-(2-chlorophenyl)propan-2-ol
CID 12759846
methyl 2-amino-2-(2-chlorophenyl)-4-cyanobutanoate
CID 71181940
5-chloro-3-methyl-3-(3-methylphenyl)-4-oxopentanenitrile
CID 171078122
(3S)-3-hydroxy-3-phenylbutanenitrile
CID 792926
2-(4-chlorophenyl)-4-cyano-2-methylbutanoic acid
CID 117049620

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid (CID 117049468) is 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid is CC(CC#N)(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid?
The InChIKey is FNWJMQXKTWKEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-11(6-7-13,10(14)15)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid?
2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid has a molecular weight of 223.66 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid is sourced from PubChem (CID 117049468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).