2-(4-pyridin-2-ylphenyl)acetic acid

C13H11NO2 — CID 504301

IUPAC2-(4-pyridin-2-ylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C13H11NO2/c15-13(16)9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
InChIKeyKPAUORDXNFURBA-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.38
Rot. Bonds3

About 2-(4-pyridin-2-ylphenyl)acetic acid

2-(4-pyridin-2-ylphenyl)acetic acid (PubChem CID 504301) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenyl)acetic acid
PubChem CID504301
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(4-pyridin-2-ylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C13H11NO2/c15-13(16)9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
InChIKeyKPAUORDXNFURBA-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 108
CID 108
CID 5284442
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CID 30923
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CID 3673
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CID 85317
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CID 2760505
CID 2760505
CID 2795575
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CID 233243
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CID 259624
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CID 3238289
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CID 3245144
CID 3245144
CID 6537201
CID 6537201

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylphenyl)acetic acid?
The IUPAC name of 2-(4-pyridin-2-ylphenyl)acetic acid (CID 504301) is 2-(4-pyridin-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(4-pyridin-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(4-pyridin-2-ylphenyl)acetic acid is O=C(O)Cc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(4-pyridin-2-ylphenyl)acetic acid?
The InChIKey is KPAUORDXNFURBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(16)9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16).
What are the key properties of 2-(4-pyridin-2-ylphenyl)acetic acid?
2-(4-pyridin-2-ylphenyl)acetic acid has a molecular weight of 213.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylphenyl)acetic acid is sourced from PubChem (CID 504301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).