2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride

C8H9ClN2O2 — CID 154857231

IUPAC2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(n1)NCC2
InChIInChI=1S/C8H8N2O2.ClH/c11-8(12)6-2-1-5-3-4-9-7(5)10-6;/h1-2H,3-4H2,(H,9,10)(H,11,12);1H
InChIKeyQIJLTRUYPBCQJN-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.17
Rot. Bonds1

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

2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride (PubChem CID 154857231) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride
PubChem CID154857231
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(n1)NCC2
InChIInChI=1S/C8H8N2O2.ClH/c11-8(12)6-2-1-5-3-4-9-7(5)10-6;/h1-2H,3-4H2,(H,9,10)(H,11,12);1H
InChIKeyQIJLTRUYPBCQJN-UHFFFAOYSA-N
XLogP1.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22570252
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CID 169448886
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride
CID 170916820
7-(1-hydroxycyclopropyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 164855215
tert-butyl N-[2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]carbamate
CID 46941832
[6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-2-oxohexyl]phosphonic acid
CID 23435554
6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117110530
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CID 161453399
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 170943375

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride (CID 154857231) is 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(n1)NCC2.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride?
The InChIKey is QIJLTRUYPBCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.ClH/c11-8(12)6-2-1-5-3-4-9-7(5)10-6;/h1-2H,3-4H2,(H,9,10)(H,11,12);1H.
What are the key properties of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride?
2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 154857231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).