6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid

C11H11NO2 — CID 160512753

IUPAC6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCC1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C11H11NO2/c1-2-7-5-9-8(11(13)14)3-4-12-10(9)6-7/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyAHRPVEKZJFHRQW-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.13
Rot. Bonds2

About 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 160512753) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID160512753
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESCCC1=Cc2nccc(C(=O)O)c2C1
InChIInChI=1S/C11H11NO2/c1-2-7-5-9-8(11(13)14)3-4-12-10(9)6-7/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyAHRPVEKZJFHRQW-UHFFFAOYSA-N
XLogP2.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-methylphenoxy)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 147530025
6-[(3-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146858339
methyl 6-(hydroxymethyl)-5H-cyclopenta[b]pyridine-4-carboxylate
CID 147773353
6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149017866
6-(4-fluoro-3-methylphenoxy)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 153232939
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]ethanone
CID 152841006
2-bromo-3-ethylpyridine-4-carboxylic acid
CID 52911016
6-ethylquinoline-4-carboxylic acid
CID 83527113
7-methyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512752
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 146894540
1-[6-[(4-chloro-3-methylphenyl)methyl]-5H-cyclopenta[b]pyridin-4-yl]-2-isocyanoethanone
CID 157444487
2-ethylpyridine-4-carbonyl chloride
CID 45081393

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 160512753) is 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid is CCC1=Cc2nccc(C(=O)O)c2C1.
What is the InChIKey of 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is AHRPVEKZJFHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-5-9-8(11(13)14)3-4-12-10(9)6-7/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid?
6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 160512753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).