9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid

C19H12N2O4 — CID 133083665

IUPAC9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccncc1
InChIInChI=1S/C19H12N2O4/c22-18(23)11-1-3-16-14(9-11)15-10-12(19(24)25)2-4-17(15)21(16)13-5-7-20-8-6-13/h1-10H,(H,22,23)(H,24,25)
InChIKeyLXKFNGRWXUXNCJ-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.58
Rot. Bonds3

About 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid

9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid (PubChem CID 133083665) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid.

Molecular Properties

Compound Name9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid
PubChem CID133083665
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccncc1
InChIInChI=1S/C19H12N2O4/c22-18(23)11-1-3-16-14(9-11)15-10-12(19(24)25)2-4-17(15)21(16)13-5-7-20-8-6-13/h1-10H,(H,22,23)(H,24,25)
InChIKeyLXKFNGRWXUXNCJ-UHFFFAOYSA-N
XLogP3.58
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid?
The IUPAC name of 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid (CID 133083665) is 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid.
What is the SMILES notation for 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid?
The canonical SMILES for 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid is O=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccncc1.
What is the InChIKey of 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid?
The InChIKey is LXKFNGRWXUXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-18(23)11-1-3-16-14(9-11)15-10-12(19(24)25)2-4-17(15)21(16)13-5-7-20-8-6-13/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid?
9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid has a molecular weight of 332.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-4-ylcarbazole-3,6-dicarboxylic acid is sourced from PubChem (CID 133083665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).