2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride

C14H14ClNO2 — CID 45075115

IUPAC2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1CCc1ccccn1
InChIInChI=1S/C14H13NO2.ClH/c16-14(17)13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-7,10H,8-9H2,(H,16,17);1H
InChIKeyADUKIXJKWPAIRW-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.99
Rot. Bonds4

About 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride

2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride (PubChem CID 45075115) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
PubChem CID45075115
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccccc1CCc1ccccn1
InChIInChI=1S/C14H13NO2.ClH/c16-14(17)13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-7,10H,8-9H2,(H,16,17);1H
InChIKeyADUKIXJKWPAIRW-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173328031
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
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2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 46982647
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
3-chloro-2-(2-pyridin-2-ylethoxy)pyridine-4-carboxylic acid
CID 107063375
CID 131857449
CID 131857449
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
6-methyl-2-(2-pyridin-2-ylethoxy)pyridine-3-carboxylic acid
CID 62701733
methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
CID 46735346

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride?
The IUPAC name of 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride (CID 45075115) is 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride is Cl.O=C(O)c1ccccc1CCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride?
The InChIKey is ADUKIXJKWPAIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.ClH/c16-14(17)13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-7,10H,8-9H2,(H,16,17);1H.
What are the key properties of 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride?
2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride has a molecular weight of 263.72 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyl)benzoic acid;hydrochloride is sourced from PubChem (CID 45075115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).