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

C9H10ClNO2 — CID 66815672

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2c(c1)CCC2
InChIInChI=1S/C9H9NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h4-5H,1-3H2,(H,11,12);1H
InChIKeyRWTKLHUFPNWEJK-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.69
Rot. Bonds1

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

6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 66815672) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
PubChem CID66815672
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2c(c1)CCC2
InChIInChI=1S/C9H9NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h4-5H,1-3H2,(H,11,12);1H
InChIKeyRWTKLHUFPNWEJK-UHFFFAOYSA-N
XLogP1.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-3-carboxylic acid
CID 105445983
6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 10630532
4-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]benzoic acid
CID 122032731
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72850528
2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
CID 83833341
1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-3-yl)ethanone
CID 105444403
6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-carboxylic acid
CID 96601428
N-carbamimidoyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
CID 141148650
5-methyl-N'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166283425
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749
N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 175733082
6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethylazanium
CID 7013238

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride (CID 66815672) is 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2c(c1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is RWTKLHUFPNWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c11-9(12)7-4-6-2-1-3-8(6)10-5-7;/h4-5H,1-3H2,(H,11,12);1H.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride?
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 66815672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).