methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C9H7N3O3 — CID 89044907

IUPACmethyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(N=O)cnc2[nH]1
InChIInChI=1S/C9H7N3O3/c1-15-9(13)7-3-5-2-6(12-14)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKeyFEWPNNXRVJHYRA-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.75
Rot. Bonds2

About methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 89044907) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID89044907
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Namemethyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(N=O)cnc2[nH]1
InChIInChI=1S/C9H7N3O3/c1-15-9(13)7-3-5-2-6(12-14)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChIKeyFEWPNNXRVJHYRA-UHFFFAOYSA-N
XLogP1.75
TPSA84.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 89044907) is methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(N=O)cnc2[nH]1.
What is the InChIKey of methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is FEWPNNXRVJHYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-15-9(13)7-3-5-2-6(12-14)4-10-8(5)11-7/h2-4H,1H3,(H,10,11).
What are the key properties of methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-nitroso-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 89044907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).