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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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid
CID 166154545
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
tert-butyl 3-methyl-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166661292
5,6-dihydro-1H-benzo[h]quinazoline-2,4-dione
CID 15857128
3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole
CID 155668346
methyl 3-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154523
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
CID 10847727
2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene-13-carboxylic acid
CID 4267794
methyl 3-phenyl-1,4-dihydrochromeno[4,3-b]pyrrole-2-carboxylate
CID 12559936
1,2,4,5-tetrahydrobenzo[g]indazol-3-one
CID 10397540
5-(4-tert-butylphenyl)-4-[[5-(4-tert-butylphenyl)-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-4-yl]-naphthalen-1-ylmethylidene]-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
CID 164717297

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).