6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C17H15NO3 — CID 147530025

IUPAC6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1
InChIInChI=1S/C17H15NO3/c1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyFMVPLQHEBBLWAQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.11
Rot. Bonds4

About 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 147530025) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID147530025
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1
InChIInChI=1S/C17H15NO3/c1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyFMVPLQHEBBLWAQ-UHFFFAOYSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-ethylphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;methyl 6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate;bis(methyl 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylate);6-[(2-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;tris(6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
CID 158052958
6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512753
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
CID 152841006
4-[(4-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973523
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149046872
5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82044133
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 147530025) is 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is Cc1ccc(OCC2=Cc3nccc(C(=O)O)c3C2)cc1.
What is the InChIKey of 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is FMVPLQHEBBLWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-2-4-13(5-3-11)21-10-12-8-15-14(17(19)20)6-7-18-16(15)9-12/h2-7,9H,8,10H2,1H3,(H,19,20).
What are the key properties of 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 147530025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).