2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid

C20H14N2O2 — CID 59214672

IUPAC2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cc(-c1ccccc1)n2-c1cccnc1
InChIInChI=1S/C20H14N2O2/c23-20(24)16-9-4-10-18-17(16)12-19(14-6-2-1-3-7-14)22(18)15-8-5-11-21-13-15/h1-13H,(H,23,24)
InChIKeyCXIIHLUVNGQZRZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.39
Rot. Bonds3

About 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid

2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid (PubChem CID 59214672) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid
PubChem CID59214672
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cc(-c1ccccc1)n2-c1cccnc1
InChIInChI=1S/C20H14N2O2/c23-20(24)16-9-4-10-18-17(16)12-19(14-6-2-1-3-7-14)22(18)15-8-5-11-21-13-15/h1-13H,(H,23,24)
InChIKeyCXIIHLUVNGQZRZ-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-pyridin-3-ylindole
CID 59214542
3-(2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
CID 59214501
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 156756821
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-(7-cyclobutyl-2-pyridin-3-ylbenzo[e]indol-3-yl)benzoic acid
CID 143553015
5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
3-iodo-9-pyridin-3-ylcarbazole
CID 156633056

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid?
The IUPAC name of 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid (CID 59214672) is 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid.
What is the SMILES notation for 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid?
The canonical SMILES for 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid is O=C(O)c1cccc2c1cc(-c1ccccc1)n2-c1cccnc1.
What is the InChIKey of 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid?
The InChIKey is CXIIHLUVNGQZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)16-9-4-10-18-17(16)12-19(14-6-2-1-3-7-14)22(18)15-8-5-11-21-13-15/h1-13H,(H,23,24).
What are the key properties of 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid?
2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyridin-3-ylindole-4-carboxylic acid is sourced from PubChem (CID 59214672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).