chempirical

4-Methylnicotinic acid hydrochloride

C7H8ClNO2CAS 94015-05-1173.60 g/mol

Open in Covalent MOL file
NOOHHCl
Carboxylic acid

Properties

Molecular formula
C7H8ClNO2
Molar mass
173.60 g/mol
Exact mass
173.0244 Da
logP
1.51Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
94015-05-1
SMILES
CC1=C(C=NC=C1)C(=O)O.Cl
InChIKey
QNKFCIXWPNMUAH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2.ClH/c1-5-2-3-8-4-6(5)7(9)10;/h2-4H,1H3,(H,9,10);1H

Weigh it out

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

Work with 4-Methylnicotinic acid hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylnicotinic acid3222-50-2Free base

Similar compounds

3-Methyl-isonicotinic acid4021-12-973 % similar Cinchomeronic acid490-11-961 % similar 4-Chloronicotinic acid10177-29-454 % similar 4-Bromopyridine-3-carboxylic acid15366-62-854 % similar o-Toluic acid118-90-151 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-951 % similar 3-Bromoisonicotinic acid13959-02-950 % similar 4-(Trifluoromethyl)nicotinic acid158063-66-250 % similar

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

Same formula

4-Chloro-3-methoxy-2-methylpyridine N-oxide122307-41-9 3-Aminobenzoic acid hydrochloride15151-51-6 2-Pyridylacetic acid hydrochloride16179-97-8 2-Chloro-N-((furan-2-yl)methyl)acetamide40914-13-4 Trigonelline hydrochloride6138-41-6 3-Pyridylacetic acid hydrochloride6419-36-9 4-Pyridineacetic acid hydrochloride6622-91-9

Elsewhere

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