2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid

C14H10N2O3 — CID 169213986

IUPAC2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESN#Cc1cccc(-c2ccc(=O)n(CC(=O)O)c2)c1
InChIInChI=1S/C14H10N2O3/c15-7-10-2-1-3-11(6-10)12-4-5-13(17)16(8-12)9-14(18)19/h1-6,8H,9H2,(H,18,19)
InChIKeyAULLUDCRMJLIJW-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.47
Rot. Bonds3

About 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid

2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 169213986) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID169213986
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid
SMILESN#Cc1cccc(-c2ccc(=O)n(CC(=O)O)c2)c1
InChIInChI=1S/C14H10N2O3/c15-7-10-2-1-3-11(6-10)12-4-5-13(17)16(8-12)9-14(18)19/h1-6,8H,9H2,(H,18,19)
InChIKeyAULLUDCRMJLIJW-UHFFFAOYSA-N
XLogP1.47
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid (CID 169213986) is 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid is N#Cc1cccc(-c2ccc(=O)n(CC(=O)O)c2)c1.
What is the InChIKey of 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is AULLUDCRMJLIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-7-10-2-1-3-11(6-10)12-4-5-13(17)16(8-12)9-14(18)19/h1-6,8H,9H2,(H,18,19).
What are the key properties of 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid?
2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-cyanophenyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 169213986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).