7aH-pyrrolo[3,2-b]pyridine

C7H6N2 — CID 153453924

IUPAC7aH-pyrrolo[3,2-b]pyridine
SMILESC1=CC2N=CC=C2N=C1
InChIInChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-6H
InChIKeyCLUUSBNANOHTCF-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.96
Rot. Bonds

About 7aH-pyrrolo[3,2-b]pyridine

7aH-pyrrolo[3,2-b]pyridine (PubChem CID 153453924) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 7aH-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7aH-pyrrolo[3,2-b]pyridine
PubChem CID153453924
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name7aH-pyrrolo[3,2-b]pyridine
SMILESC1=CC2N=CC=C2N=C1
InChIInChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-6H
InChIKeyCLUUSBNANOHTCF-UHFFFAOYSA-N
XLogP0.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylidene-3H-pyridine
CID 45079590
2H-Pyrrolo[3,2-B]pyridine
CID 56972322
6H-cyclopenta[b]pyrazine
CID 59844085
Pyrrolo[3,2-b]pyridine-2-thione
CID 87705818
3,8a-Dihydro-1,5-naphthyridine
CID 91252353
2H-pyrrolo[3,2-b]pyridine;dihydrochloride
CID 162311093
2H-pyrrolo[3,2-b]pyridin-4-ium
CID 163666256
3-methyl-7aH-pyrrolo[3,2-b]pyridine
CID 166590174
3aH-pyrrolo[3,2-b]pyridine
CID 168098455
4a,5-Dihydropyrido[3,4-b]pyrazine
CID 25234749
7aH-pyrazolo[4,3-b]pyridine
CID 53422661
(3aR)-3aH-pyrrolo[3,2-b]pyridine
CID 124271578

Frequently Asked Questions

What is the IUPAC name of 7aH-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7aH-pyrrolo[3,2-b]pyridine (CID 153453924) is 7aH-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7aH-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7aH-pyrrolo[3,2-b]pyridine is C1=CC2N=CC=C2N=C1.
What is the InChIKey of 7aH-pyrrolo[3,2-b]pyridine?
The InChIKey is CLUUSBNANOHTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-6H.
What are the key properties of 7aH-pyrrolo[3,2-b]pyridine?
7aH-pyrrolo[3,2-b]pyridine has a molecular weight of 118.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 153453924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).