2-methyl-1-oxidopyrrolo[2,3-b]pyridine

C8H7N2O- — CID 142719673

IUPAC2-methyl-1-oxidopyrrolo[2,3-b]pyridine
SMILESCc1cc2cccnc2n1[O-]
InChIInChI=1S/C8H7N2O/c1-6-5-7-3-2-4-9-8(7)10(6)11/h2-5H,1H3/q-1
InChIKeyMGBYDVHGYDANBP-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.69
Rot. Bonds

About 2-methyl-1-oxidopyrrolo[2,3-b]pyridine

2-methyl-1-oxidopyrrolo[2,3-b]pyridine (PubChem CID 142719673) has the molecular formula C8H7N2O- and a molecular weight of 147.16 g/mol. Its IUPAC name is 2-methyl-1-oxidopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-1-oxidopyrrolo[2,3-b]pyridine
PubChem CID142719673
Molecular FormulaC8H7N2O-
Molecular Weight147.16 g/mol
Exact Mass147.06
IUPAC Name2-methyl-1-oxidopyrrolo[2,3-b]pyridine
SMILESCc1cc2cccnc2n1[O-]
InChIInChI=1S/C8H7N2O/c1-6-5-7-3-2-4-9-8(7)10(6)11/h2-5H,1H3/q-1
InChIKeyMGBYDVHGYDANBP-UHFFFAOYSA-N
XLogP1.69
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223887
1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-ol
CID 117223855
lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
CID 156675221
1-propan-2-ylpyrrolo[2,3-b]pyridin-2-amine
CID 170310746
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622360
(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)boronic acid
CID 68721308
2-butyl-1-methylpyrrolo[2,3-b]pyridine
CID 142666149
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
CID 11332868
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one
CID 21284349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxidopyrrolo[2,3-b]pyridine?
The IUPAC name of 2-methyl-1-oxidopyrrolo[2,3-b]pyridine (CID 142719673) is 2-methyl-1-oxidopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-1-oxidopyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-methyl-1-oxidopyrrolo[2,3-b]pyridine is Cc1cc2cccnc2n1[O-].
What is the InChIKey of 2-methyl-1-oxidopyrrolo[2,3-b]pyridine?
The InChIKey is MGBYDVHGYDANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O/c1-6-5-7-3-2-4-9-8(7)10(6)11/h2-5H,1H3/q-1.
What are the key properties of 2-methyl-1-oxidopyrrolo[2,3-b]pyridine?
2-methyl-1-oxidopyrrolo[2,3-b]pyridine has a molecular weight of 147.16 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxidopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142719673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).