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8-Chloro-2-methyl-1,5-naphthyridine

HCID 601398
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
911389-21-4
Standard SMILES
Cc1ccc2nccc(Cl)c2n1
InChIKey
GGHHDIKBFBPFHO-UHFFFAOYSA-N
Molecular formula
C9H7ClN2
Average molar mass
178.62 g/mol
Monoisotopic mass
178.0297759

Names & identifiers

Preferred name
8-Chloro-2-methyl-1,5-naphthyridine
IUPAC
8-chloro-2-methyl-1,5-naphthyridine
English name
8-Chloro-2-Methyl-1,5-naphthyridine
Molecular formula
C9H7ClN2
Molecular weight
178.62

Names & synonyms

8-chloro-2-methyl-1,5-naphthyridine911389-21-48-chloro-2-methyl-[1,5]naphthyridine1,5-Naphthyridine, 8-chloro-2-methyl-MFCD196902374-Chloro-6-methyl-1,5-naphthyridineSCHEMBL3372322SCHEMBL305095348-Chloro-2-methyl-1,5phthyridineSB398328-Chloro-2-methyl[1,5]naphthyridine #DA-35559
Show more names
CS-0179427F15085F513990

Database identifiers

CAS
911389-21-4
PubChem CID
601398

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
163

Physicochemical properties

Boiling point
273.8 · 273.8±35.0 °C(Predicted)
Density
1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
1.94 · 1.94±0.10(Predicted)
Appearance
Light yellow to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

4-Hydroxy-6-methyl-1,5-naphthyridine

Related reactions

4 records
New reaction record
HRID 968738 reaction equation
HRID 968738As productuspto-grants-2007_12
HRID 968739 reaction equation
HRID 968739As reactantuspto-grants-2007_12
HRID 1227118 reaction equation
HRID 1227118As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2162918 reaction equation
HRID 2162918As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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