7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid

C14H13BrN2O2 — CID 177172242

IUPAC7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)c2[nH]c(C3=CCCNC3)cc2c1
InChIInChI=1S/C14H13BrN2O2/c15-11-5-10(14(18)19)4-9-6-12(17-13(9)11)8-2-1-3-16-7-8/h2,4-6,16-17H,1,3,7H2,(H,18,19)
InChIKeyQHOXDFFDKSHKDC-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.01
Rot. Bonds2

About 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid

7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid (PubChem CID 177172242) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid
PubChem CID177172242
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)c2[nH]c(C3=CCCNC3)cc2c1
InChIInChI=1S/C14H13BrN2O2/c15-11-5-10(14(18)19)4-9-6-12(17-13(9)11)8-2-1-3-16-7-8/h2,4-6,16-17H,1,3,7H2,(H,18,19)
InChIKeyQHOXDFFDKSHKDC-UHFFFAOYSA-N
XLogP3.01
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid?
The IUPAC name of 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid (CID 177172242) is 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid is O=C(O)c1cc(Br)c2[nH]c(C3=CCCNC3)cc2c1.
What is the InChIKey of 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid?
The InChIKey is QHOXDFFDKSHKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-5-10(14(18)19)4-9-6-12(17-13(9)11)8-2-1-3-16-7-8/h2,4-6,16-17H,1,3,7H2,(H,18,19).
What are the key properties of 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid?
7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 177172242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).