ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C10H11N3O4 — CID 143070523

IUPACethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1c[nH]c2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C8H5N3O4.C2H6/c12-8(13)6-3-10-7-5(6)1-4(2-9-7)11(14)15;1-2/h1-3H,(H,9,10)(H,12,13);1-2H3
InChIKeyJVEHJJDHPOYHLH-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.20
Rot. Bonds2

About ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 143070523) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID143070523
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Nameethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1c[nH]c2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C8H5N3O4.C2H6/c12-8(13)6-3-10-7-5(6)1-4(2-9-7)11(14)15;1-2/h1-3H,(H,9,10)(H,12,13);1-2H3
InChIKeyJVEHJJDHPOYHLH-UHFFFAOYSA-N
XLogP2.20
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 88533301
4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
CID 67155951
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 86207952
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
2-(3,3-dimethylbutan-2-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046842
N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 58227806
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
8-bromo-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid
CID 4019070
5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 53412730

Frequently Asked Questions

What is the IUPAC name of ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 143070523) is ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is CC.O=C(O)c1c[nH]c2ncc([N+](=O)[O-])cc12.
What is the InChIKey of ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is JVEHJJDHPOYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4.C2H6/c12-8(13)6-3-10-7-5(6)1-4(2-9-7)11(14)15;1-2/h1-3H,(H,9,10)(H,12,13);1-2H3.
What are the key properties of ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 143070523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).