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Compound 174610-12-9

CAT: 0931-TPL0171-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0171-01Size:100 mg
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CAS Number
174610-12-9
Purity
0.994
Bioactivity
Compound 174610-12-9, with CAS No. 174610-12-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 174610-12-9 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Nc1cc2cc[nH]c2cn1
Molecular Formula
C7H7N3
Molecular Weight
133.154
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1H-Pyrrolo(2,3-c)pyridin-5-amine
CAS Number174610-12-9
PubChem CID18975323
IUPAC Name1H-pyrrolo[2,3-c]pyridin-5-amine
Molecular FormulaC7H7N3
Molecular Weight133.15
XLogP0.6
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CNC2=CN=C(C=C21)N
InChI
InChI=1S/C7H7N3/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H,(H2,8,10)
InChIKey
PFKVAHFIYOMPMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Pyrrolo(2,3-c)pyridin-5-amine
CAS: 174610-12-9
CID: 18975323
Formula: C7H7N3
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass133.063997236
Monoisotopic Mass133.063997236
Topological Polar Surface Area54.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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

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