5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

CAS: 937012-15-2

Formula: C8H5N3O3

SMILES: [O-][N+](=O)C1=CN=C2NC=C(C=O)C2=C1

IUPAC: 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

InChI: InChI=1S/C8H5N3O3/c12-4-5-2-9-8-7(5)1-6(3-10-8)11(13)14/h1-4H,(H,9,10)

Composition: C (50.27%), H (2.64%), N (21.98%), O (25.11%)

Molar Mass: 191.146

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	191.033091033
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HFIXKNUMEZNIIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.84
Topological Polar Surface Area	88.89
Polarizability	17.82
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	937012-15-2		$283.73-$1,168.95$283.73$453.96$779.30$1,168.95