4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid

C13H17NO2 — CID 96609048

IUPAC4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid
SMILESCCc1c(C(=O)O)cnc2c1CCCCC2
InChIInChI=1S/C13H17NO2/c1-2-9-10-6-4-3-5-7-12(10)14-8-11(9)13(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyQIWWKOPFUDNBPB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds2

About 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid

4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid (PubChem CID 96609048) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid
PubChem CID96609048
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid
SMILESCCc1c(C(=O)O)cnc2c1CCCCC2
InChIInChI=1S/C13H17NO2/c1-2-9-10-6-4-3-5-7-12(10)14-8-11(9)13(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeyQIWWKOPFUDNBPB-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 23008697
2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
CID 82396272
4,6-dichloro-5-ethylpyridine-3-carboxylic acid
CID 118412182
6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 82414974
2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
CID 82184060
1-(5,6,7,8-tetrahydroquinazolin-4-yl)cyclopropane-1-carboxylic acid
CID 83859081
2-ethyl-2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]butanoic acid
CID 115430040
3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
CID 83818294
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
3-ethyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 118607699
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
cyclohexene;4-ethyl-5-methylbenzene-1,3-dicarboxylic acid
CID 174669255

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid?
The IUPAC name of 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid (CID 96609048) is 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid is CCc1c(C(=O)O)cnc2c1CCCCC2.
What is the InChIKey of 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid?
The InChIKey is QIWWKOPFUDNBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9-10-6-4-3-5-7-12(10)14-8-11(9)13(15)16/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid?
4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 96609048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).