3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid

C15H12N2O3 — CID 117171587

IUPAC3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]cc(COc3cccnc3)c12
InChIInChI=1S/C15H12N2O3/c18-15(19)12-4-1-5-13-14(12)10(7-17-13)9-20-11-3-2-6-16-8-11/h1-8,17H,9H2,(H,18,19)
InChIKeyBGBALEVNONOVJK-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.84
Rot. Bonds4

About 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid

3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid (PubChem CID 117171587) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
PubChem CID117171587
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]cc(COc3cccnc3)c12
InChIInChI=1S/C15H12N2O3/c18-15(19)12-4-1-5-13-14(12)10(7-17-13)9-20-11-3-2-6-16-8-11/h1-8,17H,9H2,(H,18,19)
InChIKeyBGBALEVNONOVJK-UHFFFAOYSA-N
XLogP2.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
3-(ethylsulfonylmethyl)-1H-indole-4-carboxylic acid
CID 117171550
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
2-(pyridin-3-yloxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172450
5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
CID 117215982
3-(pyridin-3-yloxymethyl)-1H-indol-7-amine
CID 117182000
2-iodo-4-(pyridin-3-yloxymethyl)benzoic acid
CID 23436563
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
CID 70438795
7-fluoro-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117182002
5-methyl-4-(pyridin-3-yloxymethyl)thiophene-2-carboxylic acid
CID 80730982
3-amino-1H-indole-4-carboxylic acid
CID 83481883

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid?
The IUPAC name of 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid (CID 117171587) is 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid is O=C(O)c1cccc2[nH]cc(COc3cccnc3)c12.
What is the InChIKey of 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid?
The InChIKey is BGBALEVNONOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)12-4-1-5-13-14(12)10(7-17-13)9-20-11-3-2-6-16-8-11/h1-8,17H,9H2,(H,18,19).
What are the key properties of 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid?
3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid is sourced from PubChem (CID 117171587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).