5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

C8H7ClN2O2 — CID 76847428

IUPAC5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Cl)CCN2
InChIInChI=1S/C8H7ClN2O2/c9-7-4(8(12)13)3-6-5(11-7)1-2-10-6/h3,10H,1-2H2,(H,12,13)
InChIKeyFHQGSWRIYKSHRG-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.40
Rot. Bonds1

About 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid

5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 76847428) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID76847428
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2c(nc1Cl)CCN2
InChIInChI=1S/C8H7ClN2O2/c9-7-4(8(12)13)3-6-5(11-7)1-2-10-6/h3,10H,1-2H2,(H,12,13)
InChIKeyFHQGSWRIYKSHRG-UHFFFAOYSA-N
XLogP1.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
CID 82618974
5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
2-chloro-6,6-dimethyl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 171396988
5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 117110479
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
5-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxylic acid;hydrochloride
CID 71756595
2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
CID 23129198
2,5-dichloro-6-cyanopyridine-3-carboxylic acid
CID 129097662

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 76847428) is 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cc2c(nc1Cl)CCN2.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is FHQGSWRIYKSHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-7-4(8(12)13)3-6-5(11-7)1-2-10-6/h3,10H,1-2H2,(H,12,13).
What are the key properties of 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid?
5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 198.61 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 76847428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).