6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid

C14H17ClN2O2 — CID 65321116

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCCC3CCCC32)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-10-6-7-12(16-13(10)14(18)19)17-8-2-4-9-3-1-5-11(9)17/h6-7,9,11H,1-5,8H2,(H,18,19)
InChIKeyRGSZHTQSIGZAHL-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.20
Rot. Bonds2

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid (PubChem CID 65321116) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
PubChem CID65321116
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCCC3CCCC32)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-10-6-7-12(16-13(10)14(18)19)17-8-2-4-9-3-1-5-11(9)17/h6-7,9,11H,1-5,8H2,(H,18,19)
InChIKeyRGSZHTQSIGZAHL-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-2-pyridinecarboxylic acid
CID 72914798
3-chloro-6-[(1S*,3R*)-3-hydroxy-1-methoxy-1-methyl-7-azaspiro[3.5]non-7-yl]-2-pyridinecarboxylic acid
CID 72925373
3-chloro-6-[(3R*,4R*)-3-hydroxy-3,4-dimethyl-1-pyrrolidinyl]-2-pyridinecarboxylic acid
CID 72934266
3-chloro-6-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 97271005
3-chloro-6-[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 97281236
3-[(4-chloro-3-fluorophenyl)methyl]-3-methyl-1-(2-methylpropyl)-2H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 170606566
3-Chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 28491462
3-Chloro-6-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 28491496
3-Chloro-6-[(4-fluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 28491554
3-Chloro-6-[(2-fluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 28491577
3-Chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 28822094
3-Chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 28970934

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid (CID 65321116) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid is O=C(O)c1nc(N2CCCC3CCCC32)ccc1Cl.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid?
The InChIKey is RGSZHTQSIGZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-10-6-7-12(16-13(10)14(18)19)17-8-2-4-9-3-1-5-11(9)17/h6-7,9,11H,1-5,8H2,(H,18,19).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid has a molecular weight of 280.75 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 65321116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).