4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid

C14H8N4O2 — CID 114650595

IUPAC4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid
SMILESN#Cc1cccn1-c1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C14H8N4O2/c15-8-9-4-3-7-18(9)13-10-5-1-2-6-11(10)16-17-12(13)14(19)20/h1-7H,(H,19,20)
InChIKeyFGNQJRNWWSGNBP-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.99
Rot. Bonds2

About 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid

4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid (PubChem CID 114650595) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid
PubChem CID114650595
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid
SMILESN#Cc1cccn1-c1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C14H8N4O2/c15-8-9-4-3-7-18(9)13-10-5-1-2-6-11(10)16-17-12(13)14(19)20/h1-7H,(H,19,20)
InChIKeyFGNQJRNWWSGNBP-UHFFFAOYSA-N
XLogP1.99
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid (CID 114650595) is 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid is N#Cc1cccn1-c1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid?
The InChIKey is FGNQJRNWWSGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c15-8-9-4-3-7-18(9)13-10-5-1-2-6-11(10)16-17-12(13)14(19)20/h1-7H,(H,19,20).
What are the key properties of 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid?
4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid is sourced from PubChem (CID 114650595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).