2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid

C15H14ClNO2 — CID 112650936

IUPAC2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-5-4-8-17-14(10)9-12(15(18)19)11-6-2-3-7-13(11)16/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyFFZWEZXSRABHAC-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid

2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 112650936) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID112650936
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-5-4-8-17-14(10)9-12(15(18)19)11-6-2-3-7-13(11)16/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyFFZWEZXSRABHAC-UHFFFAOYSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650926
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-[(4-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982233
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (CID 112650936) is 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1cccnc1CC(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is FFZWEZXSRABHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-5-4-8-17-14(10)9-12(15(18)19)11-6-2-3-7-13(11)16/h2-8,12H,9H2,1H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 112650936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).