2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid

C17H13NO3 — CID 54187003

IUPAC2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C17H13NO3/c19-16(20)10-14-7-8-15(18-17(14)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyPFUBWTJRJDUKCM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.82
Rot. Bonds3

About 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid

2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid (PubChem CID 54187003) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
PubChem CID54187003
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C17H13NO3/c19-16(20)10-14-7-8-15(18-17(14)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyPFUBWTJRJDUKCM-UHFFFAOYSA-N
XLogP2.82
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid (CID 54187003) is 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid is O=C(O)Cc1ccc(-c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid?
The InChIKey is PFUBWTJRJDUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16(20)10-14-7-8-15(18-17(14)21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid?
2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid has a molecular weight of 279.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 54187003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).