1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid

C16H14N2O3 — CID 117178708

IUPAC1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
SMILESCn1cc(COc2cccnc2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C16H14N2O3/c1-18-9-12(10-21-13-3-2-6-17-8-13)14-5-4-11(16(19)20)7-15(14)18/h2-9H,10H2,1H3,(H,19,20)
InChIKeyUSYVEMVZMZNAHE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds4

About 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid

1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid (PubChem CID 117178708) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
PubChem CID117178708
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
SMILESCn1cc(COc2cccnc2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C16H14N2O3/c1-18-9-12(10-21-13-3-2-6-17-8-13)14-5-4-11(16(19)20)7-15(14)18/h2-9H,10H2,1H3,(H,19,20)
InChIKeyUSYVEMVZMZNAHE-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117179178
3-[(3-methoxyphenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178696
1-methyl-3-[(4-methylphenoxy)methyl]indole-6-carboxylic acid
CID 117178698
3-[(4-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178702
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
1-methyl-3-[(4-methylphenoxy)methyl]indole-5-carboxylic acid
CID 117175310
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
3-(phenoxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175773
1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
CID 117175660

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid?
The IUPAC name of 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid (CID 117178708) is 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid?
The canonical SMILES for 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid is Cn1cc(COc2cccnc2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid?
The InChIKey is USYVEMVZMZNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-9-12(10-21-13-3-2-6-17-8-13)14-5-4-11(16(19)20)7-15(14)18/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid?
1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid is sourced from PubChem (CID 117178708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).