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2-(1H-imidazol-1-ylmethyl)pyridine

HCID 327665
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
62154-62-5
Standard SMILES
c1ccc(Cn2ccnc2)nc1
InChIKey
GGWVGNGJDGJFEU-UHFFFAOYSA-N
Molecular formula
C9H9N3
Average molar mass
159.19 g/mol
Monoisotopic mass
159.0796473

Names & identifiers

Preferred name
2-(1H-imidazol-1-ylmethyl)pyridine
IUPAC
2-(imidazol-1-ylmethyl)pyridine
English name
Pyridine,2-(1H-imidazol-1-ylmethyl)-
Molecular formula
C9H9N3
Molecular weight
159.19

Names & synonyms

2-(1H-imidazol-1-ylmethyl)pyridine62154-62-5DTXSID50316461RefChem:249917DTXCID902675842-[(1H-imidazol-1-yl)methyl]pyridine2-((1H-Imidazol-1-yl)methyl)pyridineN-picolyl imidazoleNSC3035971-(2-pyridylmethyl)imidazoleSCHEMBL2716739SCHEMBL9221130
Show more names
2-(imidazol-1-ylmethyl)pyridinePyridine,2-(1H-imidazol-1-ylmethyl)-
SCHEMBL31408151GGWVGNGJDGJFEU-UHFFFAOYSA-NMCA15462AKOS013122080HS-7168NSC-303597DS-012347CS-0265243

Database identifiers

CAS
62154-62-5
PubChem CID
327665
DTXSID
DTXSID50316461
Nikkaji
J3.630.046I

Properties

Computed structural propertiesFilling in

XLogP
0.6
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
138

Physicochemical properties

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

Related reactions

3 records
New reaction record
HRID 370653 reaction equation
HRID 370653As productuspto-grants-1985_07
HRID 1649393 reaction equation
HRID 1649393As productuspto-grants-1983_11
HRID 2338397 reaction equation
HRID 2338397As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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