3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride

C14H14ClNO2 — CID 175333059

IUPAC3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)C(Cc1ccccc1)c1cccnc1
InChIInChI=1S/C14H13NO2.ClH/c16-14(17)13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11;/h1-8,10,13H,9H2,(H,16,17);1H
InChIKeyZFPQROOMJKXWCB-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.91
Rot. Bonds4

About 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride

3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride (PubChem CID 175333059) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
PubChem CID175333059
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)C(Cc1ccccc1)c1cccnc1
InChIInChI=1S/C14H13NO2.ClH/c16-14(17)13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11;/h1-8,10,13H,9H2,(H,16,17);1H
InChIKeyZFPQROOMJKXWCB-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-2-pyridin-3-ylpropanoic 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

(2S)-2,3-diphenylpropanoic acid
CID 737125
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
CID 139662203
(2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid
CID 59096884
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride?
The IUPAC name of 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride (CID 175333059) is 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride?
The canonical SMILES for 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride is Cl.O=C(O)C(Cc1ccccc1)c1cccnc1.
What is the InChIKey of 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride?
The InChIKey is ZFPQROOMJKXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.ClH/c16-14(17)13(12-7-4-8-15-10-12)9-11-5-2-1-3-6-11;/h1-8,10,13H,9H2,(H,16,17);1H.
What are the key properties of 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride?
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride has a molecular weight of 263.72 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 175333059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).