3-carbazol-9-ylpyridine-4-carboxylic acid

C18H12N2O2 — CID 175351779

IUPAC3-carbazol-9-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H12N2O2/c21-18(22)14-9-10-19-11-17(14)20-15-7-3-1-5-12(15)13-6-2-4-8-16(13)20/h1-11H,(H,21,22)
InChIKeyKVCHHWDNLIJXNS-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.88
Rot. Bonds2

About 3-carbazol-9-ylpyridine-4-carboxylic acid

3-carbazol-9-ylpyridine-4-carboxylic acid (PubChem CID 175351779) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-carbazol-9-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-carbazol-9-ylpyridine-4-carboxylic acid
PubChem CID175351779
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-carbazol-9-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C18H12N2O2/c21-18(22)14-9-10-19-11-17(14)20-15-7-3-1-5-12(15)13-6-2-4-8-16(13)20/h1-11H,(H,21,22)
InChIKeyKVCHHWDNLIJXNS-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-ylpyridine-4-carboxylic acid?
The IUPAC name of 3-carbazol-9-ylpyridine-4-carboxylic acid (CID 175351779) is 3-carbazol-9-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-carbazol-9-ylpyridine-4-carboxylic acid?
The canonical SMILES for 3-carbazol-9-ylpyridine-4-carboxylic acid is O=C(O)c1ccncc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-ylpyridine-4-carboxylic acid?
The InChIKey is KVCHHWDNLIJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18(22)14-9-10-19-11-17(14)20-15-7-3-1-5-12(15)13-6-2-4-8-16(13)20/h1-11H,(H,21,22).
What are the key properties of 3-carbazol-9-ylpyridine-4-carboxylic acid?
3-carbazol-9-ylpyridine-4-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 175351779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).