5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C8H5N3O3 — CID 88533301

IUPAC5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=Nc1cnc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C8H5N3O3/c12-8(13)6-3-10-7-5(6)1-4(11-14)2-9-7/h1-3H,(H,9,10)(H,12,13)
InChIKeyCEBUBPPFQTXTAW-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.66
Rot. Bonds2

About 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 88533301) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID88533301
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESO=Nc1cnc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C8H5N3O3/c12-8(13)6-3-10-7-5(6)1-4(11-14)2-9-7/h1-3H,(H,9,10)(H,12,13)
InChIKeyCEBUBPPFQTXTAW-UHFFFAOYSA-N
XLogP1.66
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 21110084
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
6-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 45121070
3H-Imidazo[4,5-b]pyridine-7-carboxylic acid
CID 3433733
3H-imidazo(4,5-b)pyridine-6-carboxylic acid
CID 4738551
1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 21907018
1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 22477426
4-bromo-1H-pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 24729565
4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 24729566
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 26076448
5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 46318177
5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 46318178

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 88533301) is 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is O=Nc1cnc2[nH]cc(C(=O)O)c2c1.
What is the InChIKey of 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is CEBUBPPFQTXTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8(13)6-3-10-7-5(6)1-4(11-14)2-9-7/h1-3H,(H,9,10)(H,12,13).
What are the key properties of 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 191.15 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 88533301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).