3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine

C11H8N4 — CID 175782285

IUPAC3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3ccnnc3)c2c1
InChIInChI=1S/C11H8N4/c1-2-9-10(7-13-11(9)12-4-1)8-3-5-14-15-6-8/h1-7H,(H,12,13)
InChIKeyQKXGQPJWHLQIRE-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.02
Rot. Bonds1

About 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine

3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 175782285) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID175782285
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3ccnnc3)c2c1
InChIInChI=1S/C11H8N4/c1-2-9-10(7-13-11(9)12-4-1)8-3-5-14-15-6-8/h1-7H,(H,12,13)
InChIKeyQKXGQPJWHLQIRE-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868
3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)furan-2-yl]propanoic acid
CID 167219249
3-(4-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 58087873
3-[4-(pyrrol-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138674165
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
pyridin-2-yl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-5-yl]methanone
CID 175366502
3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 139197585
3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
3-(3H-isoindol-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 152961417

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 175782285) is 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(-c3ccnnc3)c2c1.
What is the InChIKey of 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QKXGQPJWHLQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-9-10(7-13-11(9)12-4-1)8-3-5-14-15-6-8/h1-7H,(H,12,13).
What are the key properties of 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine?
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 196.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175782285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).