5-Methylnicotinamide

HCID 65560

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Basic information

CAS: 70-57-5
Standard SMILES: Cc1cncc(C(N)=O)c1
InChIKey: BCCUXBGEPLKSEX-UHFFFAOYSA-N
Molecular formula: C7H8N2O
Average molar mass: 136.15 g/mol
Monoisotopic mass: 136.06366288

Names & identifiers

Preferred name: 5-Methylnicotinamide
IUPAC: 5-methylpyridine-3-carboxamide
English name: 5-METHYLNICOTINAMIDE
Molecular formula: C7H8N2O
Molecular weight: 136.15

Names & synonyms

5-Methylnicotinamide70-57-5Nicotinamide, 5-methyl-5-Methyl-3-pyridinecarboxamide3-Pyridinecarboxamide, 5-methyl-54US8ZUG7JNSC-87668DTXSID30220254RefChem:103208DTXCID301427455-methylpyridine-3-carboxamideMFCD05664041

Show more names

Apremilast Impurity 1213-Pyridinecarboxamide,5-methyl-(9CI)

NSC 87668; 5-Methyl-3-pyridinecarboxamideBCCUXBGEPLKSEX-UHFFFAOYSA-NNSC 87668UNII-54US8ZUG7JNCIOpen2_001036SCHEMBL832732SCHEMBL4482557SCHEMBL4482560

Database identifiers

CAS: 70-57-5
PubChem CID: 65560
DTXSID: DTXSID30220254
ChEMBL: CHEMBL4544263
UNII: 54US8ZUG7J
EC Number: 676-977-8
Nikkaji: J463.626K

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 56 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 166 · 166-168°C
Boiling point: 290 · 290.0±28.0 °C(Predicted)
Density: 1.157 · 1.157±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 14.94 · 14.94±0.50(Predicted)
color: White to Off-White
BRN: 4962976 · 4962976
FDA UNII: 54 US8ZUG7J · 54US8ZUG7J
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety Statements: 22 · 22-24/25
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.