NAI-N3 100mg

CAT: 0628-A19911-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A19911-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1612756-29-2

Chemical Information

2-(azidomethyl)-3-(1H-imidazole-1-carbonyl)pyridine

CAS Number	1612756-29-2
PubChem CID	131704490
IUPAC Name	[2-(azidomethyl)-3-pyridinyl]-imidazol-1-ylmethanone
Molecular Formula	C10H8N6O
Molecular Weight	228.21
XLogP	1.4
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	327

SMILES

C1=CC(=C(N=C1)CN=[N+]=[N-])C(=O)N2C=CN=C2

InChI

InChI=1S/C10H8N6O/c11-15-14-6-9-8(2-1-3-13-9)10(17)16-5-4-12-7-16/h1-5,7H,6H2

InChIKey

QPSQVTFTPHUCEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1612756-29-2

CID: 131704490

Formula: C10H8N6O

MW: 228.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.21
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	228.07595890
Monoisotopic Mass	228.07595890
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	327
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