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N-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine

HCID 22273610
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
651744-44-4
Standard SMILES
CNc1cnc2[nH]ccc2c1
InChIKey
RFRHSHKPFVVCPZ-UHFFFAOYSA-N
Molecular formula
C8H9N3
Average molar mass
147.18 g/mol
Monoisotopic mass
147.07964729

Names & identifiers

Preferred name
N-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
IUPAC
N-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine
English name
1H-Pyrrolo[2,3-b]pyridin-5-amine,N-methyl-(9CI)
Molecular formula
C8H9N3
Molecular weight
147.18

Names & synonyms

651744-44-4N-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine1H-Pyrrolo[2,3-b]pyridin-5-amine, N-methyl-SCHEMBL1683410SCHEMBL5597961DTXSID60624165RFRHSHKPFVVCPZ-UHFFFAOYSA-NAKOS006316638methyl(1H-pyrrolo[2,3-b]pyridin-5-yl)-aminemethyl-(1H-pyrrolo[2,3-b]pyridin-5-yl)-amine1H-Pyrrolo[2,3-b]pyridin-5-amine,N-methyl-(9CI)

Database identifiers

CAS
651744-44-4
PubChem CID
22273610
DTXSID
DTXSID60624165

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
40.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
137

Related reactions

3 records
New reaction record
HRID 290239 reaction equation
HRID 290239As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1064257 reaction equation
HRID 1064257As reactantuspto-grants-2005_11
HRID 1064258 reaction equation
HRID 1064258As productuspto-grants-2005_11

Compound notes

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