2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid

C15H13NO3 — CID 148915032

IUPAC2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
SMILESCc1cnccc1CC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H13NO3/c1-10-9-16-7-6-11(10)8-14(17)12-4-2-3-5-13(12)15(18)19/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyPJJIZOHIPFMYFD-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid

2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid (PubChem CID 148915032) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
PubChem CID148915032
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
SMILESCc1cnccc1CC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H13NO3/c1-10-9-16-7-6-11(10)8-14(17)12-4-2-3-5-13(12)15(18)19/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyPJJIZOHIPFMYFD-UHFFFAOYSA-N
XLogP2.51
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
CID 58171199
3-[(3-methyl-4-pyridinyl)methyl]benzotriazole-4-carboxylic acid
CID 114700672
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone
CID 147688075
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
2-(3,5-dimethyl-4-pyridinyl)-1-(2-methylphenyl)ethanone
CID 59293832
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
1,2-bis(2-methylphenyl)ethanone
CID 11345119
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid?
The IUPAC name of 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid (CID 148915032) is 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid.
What is the SMILES notation for 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid?
The canonical SMILES for 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid is Cc1cnccc1CC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid?
The InChIKey is PJJIZOHIPFMYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-9-16-7-6-11(10)8-14(17)12-4-2-3-5-13(12)15(18)19/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid?
2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid is sourced from PubChem (CID 148915032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).