3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride

C11H12ClNO2 — CID 163342206

IUPAC3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CC(c3ccccn3)(C1)C2
InChIInChI=1S/C11H11NO2.ClH/c13-9(14)11-5-10(6-11,7-11)8-3-1-2-4-12-8;/h1-4H,5-7H2,(H,13,14);1H
InChIKeyNZKJFAKLVZTCHB-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.01
Rot. Bonds2

About 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride

3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride (PubChem CID 163342206) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
PubChem CID163342206
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CC(c3ccccn3)(C1)C2
InChIInChI=1S/C11H11NO2.ClH/c13-9(14)11-5-10(6-11,7-11)8-3-1-2-4-12-8;/h1-4H,5-7H2,(H,13,14);1H
InChIKeyNZKJFAKLVZTCHB-UHFFFAOYSA-N
XLogP2.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
3-(2-methylphenyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 131697853
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
bis(2-pyridin-2-ylimidazol-2-yl)methanone
CID 70486580
3,5-difluoro-2-pyridin-2-yl-3H-pyridine-2-carboxylic acid
CID 87399489
2-pyridin-2-ylthiane-2-carboxylic acid
CID 102543650
4-(pyridin-2-ylamino)piperidine-4-carboxylic acid
CID 131691989
3-(6-pyrazol-1-ylpyrazin-2-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171780244
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
5,7-bis(phenoxycarbonyl)adamantane-1,3-dicarboxylic acid
CID 23026466
gadolinium;pyridine-2-carboxylic acid
CID 175231422

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride (CID 163342206) is 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C12CC(c3ccccn3)(C1)C2.
What is the InChIKey of 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
The InChIKey is NZKJFAKLVZTCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.ClH/c13-9(14)11-5-10(6-11,7-11)8-3-1-2-4-12-8;/h1-4H,5-7H2,(H,13,14);1H.
What are the key properties of 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride?
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 163342206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).