2H-pyrrolo[3,2-b]pyridin-4-ium

C7H7N2+ — CID 163666256

IUPAC2H-pyrrolo[3,2-b]pyridin-4-ium
SMILESC1=c2[nH+]cccc2=NC1
InChIInChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-4H,5H2/p+1
InChIKeyFQZLUNNSILEMNS-UHFFFAOYSA-O
MW119.15 g/mol
LogP-1.09
Rot. Bonds

About 2H-pyrrolo[3,2-b]pyridin-4-ium

2H-pyrrolo[3,2-b]pyridin-4-ium (PubChem CID 163666256) has the molecular formula C7H7N2+ and a molecular weight of 119.15 g/mol. Its IUPAC name is 2H-pyrrolo[3,2-b]pyridin-4-ium.

Molecular Properties

Compound Name2H-pyrrolo[3,2-b]pyridin-4-ium
PubChem CID163666256
Molecular FormulaC7H7N2+
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name2H-pyrrolo[3,2-b]pyridin-4-ium
SMILESC1=c2[nH+]cccc2=NC1
InChIInChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-4H,5H2/p+1
InChIKeyFQZLUNNSILEMNS-UHFFFAOYSA-O
XLogP-1.09
TPSA26.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolo-pyridimine
CID 129724623
7-fluoro-2H-pyrrolo[3,2-b]pyridin-6-amine
CID 151930866
2H-Pyrrolo[3,2-B]pyridine
CID 56972322
2-Methylidenepyridin-3-imine
CID 85854288
Pyrrolo[3,2-b]pyridine-2-thione
CID 87705818
7aH-pyrrolo[3,2-b]pyridine
CID 153453924
3-imino-2H-pyridin-5-amine
CID 153951800
2H-pyrrolo[3,2-b]pyridine;dihydrochloride
CID 162311093
Indol-6-imine
CID 168247425
Ethane;2-methylidenepyridin-3-imine
CID 169157753
5-imino-2H-pyridin-3-amine
CID 175714559
2,6-dideuterio-3-imino-2H-pyridin-5-amine
CID 175714586

Frequently Asked Questions

What is the IUPAC name of 2H-pyrrolo[3,2-b]pyridin-4-ium?
The IUPAC name of 2H-pyrrolo[3,2-b]pyridin-4-ium (CID 163666256) is 2H-pyrrolo[3,2-b]pyridin-4-ium.
What is the SMILES notation for 2H-pyrrolo[3,2-b]pyridin-4-ium?
The canonical SMILES for 2H-pyrrolo[3,2-b]pyridin-4-ium is C1=c2[nH+]cccc2=NC1.
What is the InChIKey of 2H-pyrrolo[3,2-b]pyridin-4-ium?
The InChIKey is FQZLUNNSILEMNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-4H,5H2/p+1.
What are the key properties of 2H-pyrrolo[3,2-b]pyridin-4-ium?
2H-pyrrolo[3,2-b]pyridin-4-ium has a molecular weight of 119.15 g/mol, XLogP of -1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrolo[3,2-b]pyridin-4-ium is sourced from PubChem (CID 163666256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).