7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid

C16H14N2O4 — CID 58236988

IUPAC7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid
SMILESCOc1cc(Oc2ccc(C)cn2)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C16H14N2O4/c1-9-3-4-14(17-8-9)22-11-5-10-6-12(16(19)20)18-15(10)13(7-11)21-2/h3-8,18H,1-2H3,(H,19,20)
InChIKeyZJAYOFQJBGBVHW-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.37
Rot. Bonds4

About 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid

7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid (PubChem CID 58236988) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid
PubChem CID58236988
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid
SMILESCOc1cc(Oc2ccc(C)cn2)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C16H14N2O4/c1-9-3-4-14(17-8-9)22-11-5-10-6-12(16(19)20)18-15(10)13(7-11)21-2/h3-8,18H,1-2H3,(H,19,20)
InChIKeyZJAYOFQJBGBVHW-UHFFFAOYSA-N
XLogP3.37
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
5,6,7-Trimethoxy-1H-indole-2-carboxylic acid
CID 821052
6-Propoxy-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester
CID 131889
6-Methoxy-4-methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041788
6-Hydroxy-4-methoxymethyl-beta-carboline-3-carboxylic acid ethyl ester
CID 13392775
5-phenoxy-1H-indole-2-carboxylic acid
CID 4270371
4-Ethyl-6-methoxy-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13141161
4-Ethyl-6-octyloxy-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 10715783
5-{2-[(R)-2-(6-Amino-pyridin-3-yl)-2-hydroxy-ethylamino]-ethoxy}-1-methyl-1H-indole-2-carboxylic acid
CID 9820697
6-Benzyloxy-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 9997735

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid (CID 58236988) is 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid is COc1cc(Oc2ccc(C)cn2)cc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The InChIKey is ZJAYOFQJBGBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-3-4-14(17-8-9)22-11-5-10-6-12(16(19)20)18-15(10)13(7-11)21-2/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 58236988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).