4-tert-Butyl-2-chloropyridine

C9H12ClNCAS 81167-60-4169.65 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

Molecular formula
C9H12ClN
Molar mass
169.65 g/mol
Exact mass
169.0658 Da
logP
3.03Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
81167-60-4
SMILES
CC(C)(C)C1=CC(=NC=C1)Cl
InChIKey
UGGNULHQVUWRGQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12ClN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

1 names
  • 4-(tert-Butyl)-2-chloropyridine

Work with 4-tert-Butyl-2-chloropyridine

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

4,4'-Di-tert-butyl-2,2'-bipyridine72914-19-361 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-660 % similar 2-Bromo-4-tert-butylpyridine50488-34-155 % similar 4,4',4''-Tri-tert-butyl-2,2':6',2''-terpyridine115091-29-753 % similar 2-Chloro-4-methylpyridine3678-62-450 % similar 2,4-Dichloropyridine26452-80-248 % similar 1,3-Di-tert-butylbenzene1014-60-448 % similar 4-tert-Butylpyridine3978-81-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-2,3-Dihydro-1H-inden-1-amine hydrochloride10305-73-4 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-1 2-Aminoindan hydrochloride2338-18-3 1-Aminoindane hydrochloride70146-15-5

Elsewhere

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