8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde

C17H11N3O — CID 168926750

IUPAC8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde
SMILESO=Cc1c[nH]c2ncc3ccc(-c4cccnc4)cc3c12
InChIInChI=1S/C17H11N3O/c21-10-14-9-20-17-16(14)15-6-11(3-4-13(15)8-19-17)12-2-1-5-18-7-12/h1-10H,(H,19,20)
InChIKeyDHOMMVJKSIKPBG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.59
Rot. Bonds2

About 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde

8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde (PubChem CID 168926750) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde
PubChem CID168926750
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde
SMILESO=Cc1c[nH]c2ncc3ccc(-c4cccnc4)cc3c12
InChIInChI=1S/C17H11N3O/c21-10-14-9-20-17-16(14)15-6-11(3-4-13(15)8-19-17)12-2-1-5-18-7-12/h1-10H,(H,19,20)
InChIKeyDHOMMVJKSIKPBG-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperazin-1-yl)-(8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinolin-1-yl)methanone
CID 168926549
1H-pyrrolo[2,3-b]pyridine-3,4-dicarbaldehyde
CID 53413137
6-pyridin-3-yl-1H-indole-2-carbaldehyde
CID 142373013
N-methyl-3,7-dipyridin-3-ylisoquinolin-1-amine
CID 71179866
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
CID 144501484
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
CID 164785689
2,7-bis(3-pyridin-3-ylphenyl)-9H-carbazole
CID 142715310
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde?
The IUPAC name of 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde (CID 168926750) is 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde.
What is the SMILES notation for 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde?
The canonical SMILES for 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde is O=Cc1c[nH]c2ncc3ccc(-c4cccnc4)cc3c12.
What is the InChIKey of 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde?
The InChIKey is DHOMMVJKSIKPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c21-10-14-9-20-17-16(14)15-6-11(3-4-13(15)8-19-17)12-2-1-5-18-7-12/h1-10H,(H,19,20).
What are the key properties of 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde?
8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde has a molecular weight of 273.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-3H-pyrrolo[2,3-c]isoquinoline-1-carbaldehyde is sourced from PubChem (CID 168926750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).