3-pyridin-3-ylpropanoic acid;hydrochloride

C8H10ClNO2 — CID 66648902

IUPAC3-pyridin-3-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cccnc1
InChIInChI=1S/C8H9NO2.ClH/c10-8(11)4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2,(H,10,11);1H
InChIKeyXBKWWUVPSYJONP-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.52
Rot. Bonds3

About 3-pyridin-3-ylpropanoic acid;hydrochloride

3-pyridin-3-ylpropanoic acid;hydrochloride (PubChem CID 66648902) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-pyridin-3-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-pyridin-3-ylpropanoic acid;hydrochloride
PubChem CID66648902
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name3-pyridin-3-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cccnc1
InChIInChI=1S/C8H9NO2.ClH/c10-8(11)4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2,(H,10,11);1H
InChIKeyXBKWWUVPSYJONP-UHFFFAOYSA-N
XLogP1.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid
CID 67301169
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride
CID 70505959

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropanoic acid;hydrochloride?
The IUPAC name of 3-pyridin-3-ylpropanoic acid;hydrochloride (CID 66648902) is 3-pyridin-3-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-pyridin-3-ylpropanoic acid;hydrochloride?
The canonical SMILES for 3-pyridin-3-ylpropanoic acid;hydrochloride is Cl.O=C(O)CCc1cccnc1.
What is the InChIKey of 3-pyridin-3-ylpropanoic acid;hydrochloride?
The InChIKey is XBKWWUVPSYJONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c10-8(11)4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2,(H,10,11);1H.
What are the key properties of 3-pyridin-3-ylpropanoic acid;hydrochloride?
3-pyridin-3-ylpropanoic acid;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 66648902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).