methyl 5-cyano-2-hydroxybenzoate

C9H7NO3 — CID 10583428

IUPACmethyl 5-cyano-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C#N)ccc1O
InChIInChI=1S/C9H7NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,1H3
InChIKeyWNLGGSGBOQGUHV-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.05
Rot. Bonds1

About methyl 5-cyano-2-hydroxybenzoate

methyl 5-cyano-2-hydroxybenzoate (PubChem CID 10583428) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl 5-cyano-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-cyano-2-hydroxybenzoate
PubChem CID10583428
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Namemethyl 5-cyano-2-hydroxybenzoate
SMILESCOC(=O)c1cc(C#N)ccc1O
InChIInChI=1S/C9H7NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,1H3
InChIKeyWNLGGSGBOQGUHV-UHFFFAOYSA-N
XLogP1.05
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-cyano-2-hydroxybenzoate;methyl 5-cyano-2-(2-methoxyethoxy)benzoate
CID 68720166
methyl 2-chloro-5-cyanobenzoate
CID 16659388
methyl 5-cyano-2-(trifluoromethyl)benzoate
CID 71060125
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
CID 19423395
methyl 2-hydroxy-5-(3-hydroxyprop-1-ynyl)benzoate
CID 169485432
3-(2,2-dimethylpropanoyl)-4-hydroxybenzonitrile
CID 130034806
methyl 2-(2-bromopropanoyl)-4-cyanobenzoate
CID 134649290
methyl 5-cyano-2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate
CID 23076856
lithium;4-cyano-2-methylbenzoic acid;methyl 4-cyano-2-methylbenzoate;hydroxide;hydrate
CID 158915080
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2-bromo-5-carbamothioylbenzoate;methyl 2-bromo-5-cyanobenzoate
CID 161062378
methyl 2,3-dibromo-5-cyanobenzoate
CID 130775471

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-hydroxybenzoate?
The IUPAC name of methyl 5-cyano-2-hydroxybenzoate (CID 10583428) is methyl 5-cyano-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-cyano-2-hydroxybenzoate?
The canonical SMILES for methyl 5-cyano-2-hydroxybenzoate is COC(=O)c1cc(C#N)ccc1O.
What is the InChIKey of methyl 5-cyano-2-hydroxybenzoate?
The InChIKey is WNLGGSGBOQGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4,11H,1H3.
What are the key properties of methyl 5-cyano-2-hydroxybenzoate?
methyl 5-cyano-2-hydroxybenzoate has a molecular weight of 177.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-hydroxybenzoate is sourced from PubChem (CID 10583428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).