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Crizotinib Impurity 9

CAT: 1299-RM-C182609-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C182609-03Size:50 mg
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CAS Number
877397-71-2
Synonyms
(R) -3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) pyridin-2-amine
Molecular Formula
C13H11Cl2FN2O
Molecular Weight
301.14
Target Alternative Name
Crizotinib
Product Name Synonym
(R) -3- (1- (2,6-dichloro-3-fluorophenyl) ethoxy) pyridin-2-amine

Chemical Information

(R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
CAS Number877397-71-2
PubChem CID49765905
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.14
XLogP3.7
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity298
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC=C2)N
InChI
InChI=1S/C13H11Cl2FN2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(14)4-5-9(16)12(11)15/h2-7H,1H3,(H2,17,18)/t7-/m1/s1
InChIKey
IEKMAKBQCRKWLS-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of (R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
CAS: 877397-71-2
CID: 49765905
Formula: C13H11Cl2FN2O
MW: 301.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.14
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass300.0232465
Monoisotopic Mass300.0232465
Topological Polar Surface Area48.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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