3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

C9H8BrNO2 — CID 130116182

IUPAC3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2cc(Br)cnc2C1
InChIInChI=1S/C9H8BrNO2/c10-7-2-5-1-6(9(12)13)3-8(5)11-4-7/h2,4,6H,1,3H2,(H,12,13)
InChIKeyHRTOINWFTUWXRA-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.64
Rot. Bonds1

About 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid (PubChem CID 130116182) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
PubChem CID130116182
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2cc(Br)cnc2C1
InChIInChI=1S/C9H8BrNO2/c10-7-2-5-1-6(9(12)13)3-8(5)11-4-7/h2,4,6H,1,3H2,(H,12,13)
InChIKeyHRTOINWFTUWXRA-UHFFFAOYSA-N
XLogP1.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid
CID 15521501
3-(5-Bromopyridin-3-yl)propanoic acid
CID 45158840
5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid hydrochloride
CID 68562899
rac-(1R,2R)-2-(6-bromopyridin-3-yl)cyclopropane-1-carboxylic acid
CID 86691193
4-(5-Bromopyridin-2-yl)butanoic acid
CID 89814303
3-(5-Bromopyridin-3-yl)propanoic acid hydrochloride
CID 71758122
rac-(1R,2R)-2-(3,5-dibromopyridin-2-yl)cyclopropane-1-carboxylic acid
CID 137943631
3-bromo-5H,6H,7H-cyclopenta[b]pyridine-6-carboxylic acid hydrochloride
CID 137971732
rac-(1R,2R)-2-(3-bromopyridin-2-yl)cyclopropane-1-carboxylic acid
CID 145913850
4-(3-Bromopyridin-2-yl)butanoic acid
CID 165663752
9-Carboxymethyl-4-azafluorene
CID 3102865
3-(Trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 115038078

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The IUPAC name of 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid (CID 130116182) is 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid is O=C(O)C1Cc2cc(Br)cnc2C1.
What is the InChIKey of 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The InChIKey is HRTOINWFTUWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-7-2-5-1-6(9(12)13)3-8(5)11-4-7/h2,4,6H,1,3H2,(H,12,13).
What are the key properties of 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid has a molecular weight of 242.07 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid is sourced from PubChem (CID 130116182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).