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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Related Compounds

ethyl 3-{[(E)-(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 2831745
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
ethyl 3-amino-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 2831729
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 1H-indole-2-carboxylate
CID 51076459
Ethyl 3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 11009736
Methyl 4,10-dimethyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 25025676
Ethyl 4,10-dimethyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 25025677
Ethyl 4-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 135463439
Butyl 4-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 135914614
Methyl 4-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 135914615

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).