2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

C9H8ClNO2 — CID 21260374

IUPAC2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2ccc(Cl)nc2C1
InChIInChI=1S/C9H8ClNO2/c10-8-2-1-5-3-6(9(12)13)4-7(5)11-8/h1-2,6H,3-4H2,(H,12,13)
InChIKeySPGXGBUTWOUFLF-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.53
Rot. Bonds1

About 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid

2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid (PubChem CID 21260374) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
PubChem CID21260374
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2ccc(Cl)nc2C1
InChIInChI=1S/C9H8ClNO2/c10-8-2-1-5-3-6(9(12)13)4-7(5)11-8/h1-2,6H,3-4H2,(H,12,13)
InChIKeySPGXGBUTWOUFLF-UHFFFAOYSA-N
XLogP1.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
CID 115038076
4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 168771424
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
3-chloro-5,6,7,8-tetrahydrocinnoline-6-carboxylic acid
CID 91811783
8,9-dihydro-7H-benzo[de]quinoline-8-carboxylic acid
CID 54247159
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 118695072
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290
(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid
CID 82159346
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 70448730
2-chloro-5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154379577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The IUPAC name of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid (CID 21260374) is 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid is O=C(O)C1Cc2ccc(Cl)nc2C1.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
The InChIKey is SPGXGBUTWOUFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-8-2-1-5-3-6(9(12)13)4-7(5)11-8/h1-2,6H,3-4H2,(H,12,13).
What are the key properties of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid?
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid has a molecular weight of 197.62 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid is sourced from PubChem (CID 21260374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).