6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C17H15NO3 — CID 146858339

IUPAC6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1cccc(CC2=Cc3nccc(C(=O)O)c3C2)c1
InChIInChI=1S/C17H15NO3/c1-21-13-4-2-3-11(8-13)7-12-9-15-14(17(19)20)5-6-18-16(15)10-12/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKeySKAWJTPVHNEDFF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.97
Rot. Bonds4

About 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 146858339) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID146858339
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCOc1cccc(CC2=Cc3nccc(C(=O)O)c3C2)c1
InChIInChI=1S/C17H15NO3/c1-21-13-4-2-3-11(8-13)7-12-9-15-14(17(19)20)5-6-18-16(15)10-12/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKeySKAWJTPVHNEDFF-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
CID 152841006
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
4-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82480528
2-[(3-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 859340
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
1-[6-[(4-chloro-3-methylphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]-2-isocyanoethanone
CID 157444487
6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 153232939
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 146858339) is 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is COc1cccc(CC2=Cc3nccc(C(=O)O)c3C2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is SKAWJTPVHNEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-13-4-2-3-11(8-13)7-12-9-15-14(17(19)20)5-6-18-16(15)10-12/h2-6,8,10H,7,9H2,1H3,(H,19,20).
What are the key properties of 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 146858339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).