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2-Chloro-3- (hydroxymethyl) pyridine

CAT: 0926-FC50835-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FC50835-01Size:0.1 Kg
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CAS Number
42330-59-6
Synonyms
(2-Chloro-3-pyridinyl) methanol
MDL Number
MFCD01935961
Smiles
C1=CC (=C (N=C1) Cl) CO
Molecular Formula
C6H6ClNO
Molecular Weight
143.57 g/mol
Controlled
No

Chemical Information

(2-Chloropyridin-3-yl)methanol
CAS Number42330-59-6
PubChem CID2763647
IUPAC Name(2-chloro-3-pyridinyl)methanol
Molecular FormulaC6H6ClNO
Molecular Weight143.57
XLogP0.9
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity89
SMILES
C1=CC(=C(N=C1)Cl)CO
InChI
InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
InChIKey
HMPDWSBKPCOQDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Chloropyridin-3-yl)methanol
CAS: 42330-59-6
CID: 2763647
Formula: C6H6ClNO
MW: 143.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.57
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass143.0137915
Monoisotopic Mass143.0137915
Topological Polar Surface Area33.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity89.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes