2-(2-methylphenyl)-2-pyridin-2-ylacetic acid

C14H13NO2 — CID 82040348

IUPAC2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
SMILESCc1ccccc1C(C(=O)O)c1ccccn1
InChIInChI=1S/C14H13NO2/c1-10-6-2-3-7-11(10)13(14(16)17)12-8-4-5-9-15-12/h2-9,13H,1H3,(H,16,17)
InChIKeyWBZDTFLAROTBBY-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid

2-(2-methylphenyl)-2-pyridin-2-ylacetic acid (PubChem CID 82040348) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
PubChem CID82040348
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
SMILESCc1ccccc1C(C(=O)O)c1ccccn1
InChIInChI=1S/C14H13NO2/c1-10-6-2-3-7-11(10)13(14(16)17)12-8-4-5-9-15-12/h2-9,13H,1H3,(H,16,17)
InChIKeyWBZDTFLAROTBBY-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
CID 116824724
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
2-(2-methylphenyl)-1-(4-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110373483
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373519
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
CID 116824693
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
1-(2-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 66848705
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylphenyl)-2-pyridin-2-ylethanone
CID 110373502
1-(2-hydroxy-4-methylphenyl)-1-pyridin-2-ylpropan-2-one
CID 66847995
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid (CID 82040348) is 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid is Cc1ccccc1C(C(=O)O)c1ccccn1.
What is the InChIKey of 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid?
The InChIKey is WBZDTFLAROTBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-6-2-3-7-11(10)13(14(16)17)12-8-4-5-9-15-12/h2-9,13H,1H3,(H,16,17).
What are the key properties of 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid?
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid has a molecular weight of 227.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 82040348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).