Products for Research Use Only
RegisterLogin

4-Methylnicotinonitrile

CAT: 0127-OR3147-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR3147-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
5444-01-9
Synonyms
3-Cyano-4-methylpyridine
MDL Number
MFCD00234272
Purity
97%
Smiles
Cc1ccncc1C#N

Chemical Information

4-Methyl-3-cyanopyridine

structure in first source

CAS Number5444-01-9
PubChem CID227806
IUPAC Name4-methylpyridine-3-carbonitrile
Molecular FormulaC7H6N2
Molecular Weight118.14
XLogP0.9
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
CC1=C(C=NC=C1)C#N
InChI
InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3
InChIKey
XLAPHZHNODDMDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-3-cyanopyridine
CAS: 5444-01-9
CID: 227806
Formula: C7H6N2
MW: 118.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.14
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass118.053098200
Monoisotopic Mass118.053098200
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
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

Related Products

CatalogName
OR1044427-014-Chloro-2-methylnicotinonitrile
OR87339-014-Chloro-6-methylnicotinonitrile
OR78286-014,6-Dichloro-2-methylnicotinonitrile
OR1033469-012,4-Dihydroxy-6-methylnicotinonitrile
OR76778-012,4-Dichloro-6-methylnicotinonitrile
OR29756-016-Methylnicotinonitrile
OR13616-015-Methylnicotinonitrile
OR1071186-016-Amino-4-chloro-2-methylnicotinonitrile
OR1060717-012-Chloro-4- (methoxymethyl) -6-methylnicotinonitrile
OR81014-014-Chloro-5-iodo-6-methylnicotinonitrile

Alternative Products

CatalogName
QKB09252-015-Bromo-4-methylnicotinonitrile
TJA469666-Methoxy-4-methylnicotinonitrile
ZFA379712-Methoxy-4-methylnicotinonitrile
GTC461925-Amino-4-methylnicotinonitrile
sc-3352372-mercapto-4-methylnicotinonitrile
sc-298665A2,6-Dihydroxy-4-methylnicotinonitrile
sc-2311662,6-Dichloro-4-methylnicotinonitrile
RG-P022727-016-Methylnicotinonitrile
abx181827-012-Methylnicotinonitrile
sc-3256906- (Difluoromethyl) -2-hydroxy-4-methylnicotinonitrile

Popular Products