2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid

C16H12N2O2 — CID 139308697

IUPAC2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C16H12N2O2/c19-15(20)10-11-3-5-12(6-4-11)14-8-7-13-2-1-9-17-16(13)18-14/h1-9H,10H2,(H,19,20)
InChIKeyXBHTUXUIOAOHMC-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid

2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid (PubChem CID 139308697) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid
PubChem CID139308697
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C16H12N2O2/c19-15(20)10-11-3-5-12(6-4-11)14-8-7-13-2-1-9-17-16(13)18-14/h1-9H,10H2,(H,19,20)
InChIKeyXBHTUXUIOAOHMC-UHFFFAOYSA-N
XLogP2.92
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,8-naphthyridin-2-yl)-N-[(4-phenylphenyl)methyl]benzamide
CID 71449507
2-quinolin-7-ylacetic acid
CID 18675903
2-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]acetic acid
CID 170886833
2,6-bis(1,8-naphthyridin-2-yl)pyridine-4-carboxylic acid;ruthenium
CID 175374249
methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate
CID 134501033
2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
CID 59588134
2-(1,8-naphthyridin-2-yl)acetamide
CID 66510813
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
1-(4-quinolin-2-ylphenyl)propan-2-one
CID 82540961
naphthalene;2-phenylacetic acid
CID 174965541
2-(triazin-4-yl)-1,8-naphthyridine
CID 175179815
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid (CID 139308697) is 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccc3cccnc3n2)cc1.
What is the InChIKey of 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid?
The InChIKey is XBHTUXUIOAOHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15(20)10-11-3-5-12(6-4-11)14-8-7-13-2-1-9-17-16(13)18-14/h1-9H,10H2,(H,19,20).
What are the key properties of 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid?
2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-naphthyridin-2-yl)phenyl]acetic acid is sourced from PubChem (CID 139308697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).