1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine

C9H11N3 — CID 88975377

IUPAC1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine
SMILESCc1cn(C)c2nc(N)ccc12
InChIInChI=1S/C9H11N3/c1-6-5-12(2)9-7(6)3-4-8(10)11-9/h3-5H,1-2H3,(H2,10,11)
InChIKeyWYUCWOCUANTYDR-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.46
Rot. Bonds

About 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine

1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine (PubChem CID 88975377) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine
PubChem CID88975377
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine
SMILESCc1cn(C)c2nc(N)ccc12
InChIInChI=1S/C9H11N3/c1-6-5-12(2)9-7(6)3-4-8(10)11-9/h3-5H,1-2H3,(H2,10,11)
InChIKeyWYUCWOCUANTYDR-UHFFFAOYSA-N
XLogP1.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
1H-Pyrrolo(2,3-b)pyridine
CID 9222
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
Rolodine
CID 5359646
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
1,8-Naphthyridine
CID 136069
2-Phenylimidazo(1,2-a)pyridine
CID 201136
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine (CID 88975377) is 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine is Cc1cn(C)c2nc(N)ccc12.
What is the InChIKey of 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is WYUCWOCUANTYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-5-12(2)9-7(6)3-4-8(10)11-9/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine?
1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 161.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 88975377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).