PHA 767491

CAT: 0926-VIB71400-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VIB71400-01Size:50 mg

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CAS Number

845714-00-3

MDL Number

MFCD11519962

Smiles

C1CNC (=O) C2=C1NC (=C2) C3=CC=NC=C3.Cl

Molecular Formula

C12H11N3O

Molecular Weight

213.24 g/mol

Controlled

Chemical Information

Pha-767491

2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is a pyrrolopyridine.

CAS Number	845714-00-3
PubChem CID	11715767
IUPAC Name	2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Molecular Formula	C12H11N3O
Molecular Weight	213.23
XLogP	0.6
Topological Polar Surface Area	57.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	275

SMILES

C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3

InChI

InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)

InChIKey

DKXHSOUZPMHNIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 845714-00-3

CID: 11715767

Formula: C12H11N3O

MW: 213.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.23
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	213.090211983
Monoisotopic Mass	213.090211983
Topological Polar Surface Area	57.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275
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