3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid

C18H14N2O2 — CID 166154507

IUPAC3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(c1-c1ccncc1)CCc1ccccc1-2
InChIInChI=1S/C18H14N2O2/c21-18(22)17-15(12-7-9-19-10-8-12)14-6-5-11-3-1-2-4-13(11)16(14)20-17/h1-4,7-10,20H,5-6H2,(H,21,22)
InChIKeyBFDOIIRYQZPFNI-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.54
Rot. Bonds2

About 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid

3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (PubChem CID 166154507) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
PubChem CID166154507
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(c1-c1ccncc1)CCc1ccccc1-2
InChIInChI=1S/C18H14N2O2/c21-18(22)17-15(12-7-9-19-10-8-12)14-6-5-11-3-1-2-4-13(11)16(14)20-17/h1-4,7-10,20H,5-6H2,(H,21,22)
InChIKeyBFDOIIRYQZPFNI-UHFFFAOYSA-N
XLogP3.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The IUPAC name of 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (CID 166154507) is 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The canonical SMILES for 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid is O=C(O)c1[nH]c2c(c1-c1ccncc1)CCc1ccccc1-2.
What is the InChIKey of 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
The InChIKey is BFDOIIRYQZPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(22)17-15(12-7-9-19-10-8-12)14-6-5-11-3-1-2-4-13(11)16(14)20-17/h1-4,7-10,20H,5-6H2,(H,21,22).
What are the key properties of 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid?
3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 166154507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).