5-Formyl-2-picoline

CAT: 0024-sc-268067Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-268067Size:1 g

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CAS Number

53014-84-9

Chemical Information

6-Methyl-3-pyridinecarboxaldehyde

CAS Number	53014-84-9
PubChem CID	10192566
IUPAC Name	6-methylpyridine-3-carbaldehyde
Molecular Formula	C7H7NO
Molecular Weight	121.14
XLogP	0.7
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

CC1=NC=C(C=C1)C=O

InChI

InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3

InChIKey

IMWMEIWYPWVABQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53014-84-9

CID: 10192566

Formula: C7H7NO

MW: 121.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.14
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	121.052763847
Monoisotopic Mass	121.052763847
Topological Polar Surface Area	30 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-259911A	2-Formyl-4-picoline
sc-259911	2-Formyl-4-picoline
sc-262712	5-Picoline-2-boronic acid
sc-495869	2,5-Dichloro-3-picoline
sc-262626A	5-Formyl-2-methoxypyrimidine
sc-217191	5-Formyl-2-methylpyrimidine
sc-238203	2-Picoline
sc-482408	5-Formyl-2-pyridinecarbonitrile
sc-262626	5-Formyl-2-methoxypyrimidine
sc-336877	5-formyl-2-methylbenzonitrile