3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride

C15H16ClNO3 — CID 70505959

IUPAC3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(C(O)c2cccnc2)cc1
InChIInChI=1S/C15H15NO3.ClH/c17-14(18)8-5-11-3-6-12(7-4-11)15(19)13-2-1-9-16-10-13;/h1-4,6-7,9-10,15,19H,5,8H2,(H,17,18);1H
InChIKeyBPQINADEQJCHTI-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.60
Rot. Bonds5

About 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride

3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride (PubChem CID 70505959) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride
PubChem CID70505959
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1ccc(C(O)c2cccnc2)cc1
InChIInChI=1S/C15H15NO3.ClH/c17-14(18)8-5-11-3-6-12(7-4-11)15(19)13-2-1-9-16-10-13;/h1-4,6-7,9-10,15,19H,5,8H2,(H,17,18);1H
InChIKeyBPQINADEQJCHTI-UHFFFAOYSA-N
XLogP2.60
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
CID 139662203
3-[4-(1-hydroxypropyl)phenyl]propanoic acid
CID 105461698
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanol
CID 23302982
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497

Frequently Asked Questions

What is the IUPAC name of 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride (CID 70505959) is 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride is Cl.O=C(O)CCc1ccc(C(O)c2cccnc2)cc1.
What is the InChIKey of 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride?
The InChIKey is BPQINADEQJCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.ClH/c17-14(18)8-5-11-3-6-12(7-4-11)15(19)13-2-1-9-16-10-13;/h1-4,6-7,9-10,15,19H,5,8H2,(H,17,18);1H.
What are the key properties of 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride?
3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 70505959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).