2,6-Dichloro-5-fluoronicotinic acid

C6H2Cl2FNO2CAS 82671-06-5209.99 g/mol

Open in Covalent MOL file
OHOFClNCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H2Cl2FNO2
Molar mass
209.99 g/mol
Exact mass
208.9447 Da
Melting point
155–156 °C
logP
2.23Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
82671-06-5
SMILES
O=C(O)c1cc(F)c(Cl)nc1Cl
InChIKey
LTDGKGCHRNNCAC-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)

Weigh it out

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

Names and synonyms

2 names
  • 3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-
  • 2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid

Work with 2,6-Dichloro-5-fluoronicotinic 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

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.

2,6-Dichloro-5-fluoronicotinic acid8271-06-5

Similar compounds

2,6-Dichloro-5-fluoronicotinoyl chloride96568-02-463 % similar 2,6-Dichloro-5-fluoronicotinamide113237-20-061 % similar 4,5-Difluorophthalic acid18959-31-458 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-057 % similar 6-Chloro-5-fluoro-pyridine-2-carboxylic acid860296-24-857 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-156 % similar 2,4-Dichloro-5-fluorobenzoic acid86522-89-656 % similar 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-5 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-3

Elsewhere

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