chempirical

Fusaric acid

C10H13NO2CAS 536-69-6179.22 g/mol

Open in Covalent MOL file
OOHN
Carboxylic acid

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
96–98 °C
logP
2.12Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
536-69-6
SMILES
CCCCc1ccc(C(=O)O)nc1
InChIKey
DGMPVYSXXIOGJY-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Pyridinecarboxylic acid, 5-butyl-
  • Picolinic acid, 5-butyl-
  • 5-Butyl-2-pyridinecarboxylic acid
  • 5-Butylpicolinic acid
  • 5-n-Butylpyridine-2-carboxylic acid
  • 5-Butyl-2-picolinic acid
  • NSC 135043
  • NSC 19870

Work with Fusaric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Ethylpicolinic acid770-08-168 % similar 4-Butylbenzoic acid20651-71-262 % similar 4-Pentylbenzoic acid26311-45-556 % similar 4-Hexylbenzoic acid21643-38-955 % similar 4-Octylbenzoic acid3575-31-355 % similar 4-Heptylbenzoic acid38350-87-755 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-452 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 Dl-α-methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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