3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine

C7H6IN3 — CID 135396970

IUPAC3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESNc1cc2c(I)c[nH]c2cn1
InChIInChI=1S/C7H6IN3/c8-5-2-10-6-3-11-7(9)1-4(5)6/h1-3,10H,(H2,9,11)
InChIKeyRWBZOGGGZBGHSO-UHFFFAOYSA-N
MW259.05 g/mol
LogP1.75
Rot. Bonds

About 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine

3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine (PubChem CID 135396970) has the molecular formula C7H6IN3 and a molecular weight of 259.05 g/mol. Its IUPAC name is 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine.

Molecular Properties

Compound Name3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine
PubChem CID135396970
Molecular FormulaC7H6IN3
Molecular Weight259.05 g/mol
Exact Mass258.96
IUPAC Name3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESNc1cc2c(I)c[nH]c2cn1
InChIInChI=1S/C7H6IN3/c8-5-2-10-6-3-11-7(9)1-4(5)6/h1-3,10H,(H2,9,11)
InChIKeyRWBZOGGGZBGHSO-UHFFFAOYSA-N
XLogP1.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53412708
5-(5-amino-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indazole-7-carboxylic acid
CID 59023793
5-chloro-3-iodo-1H-indole
CID 2762969
5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
CID 148874730
1H-pyrrolo[2,3-c]pyridin-5-amine;dihydrochloride
CID 67382254
6-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115021046
6-fluoro-9H-pyrido[3,4-b]indol-3-amine
CID 115022160
4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
CID 70942309
7-bromo-9H-pyrido[3,4-b]indol-3-amine
CID 115048933
7-chloro-9H-pyrido[3,4-b]indol-3-amine
CID 115030362
6-(2-chlorophenyl)-3-iodo-1H-pyrrolo[3,2-c]pyridine
CID 71579451
3-iodo-1H-indole-5-carboxylic acid
CID 50990518

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine?
The IUPAC name of 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine (CID 135396970) is 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine.
What is the SMILES notation for 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine?
The canonical SMILES for 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine is Nc1cc2c(I)c[nH]c2cn1.
What is the InChIKey of 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine?
The InChIKey is RWBZOGGGZBGHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3/c8-5-2-10-6-3-11-7(9)1-4(5)6/h1-3,10H,(H2,9,11).
What are the key properties of 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine?
3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine has a molecular weight of 259.05 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine is sourced from PubChem (CID 135396970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).