2-(1,8-naphthyridin-2-yl)benzoic acid

C15H10N2O2 — CID 2761117

IUPAC2-(1,8-naphthyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2cccnc2n1
InChIInChI=1S/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19)
InChIKeyGESFCCAHDCEFFP-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.99
Rot. Bonds2

About 2-(1,8-naphthyridin-2-yl)benzoic acid

2-(1,8-naphthyridin-2-yl)benzoic acid (PubChem CID 2761117) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(1,8-naphthyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(1,8-naphthyridin-2-yl)benzoic acid
PubChem CID2761117
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-(1,8-naphthyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2cccnc2n1
InChIInChI=1S/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19)
InChIKeyGESFCCAHDCEFFP-UHFFFAOYSA-N
XLogP2.99
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,8-naphthyridin-2-yl)benzoic acid?
The IUPAC name of 2-(1,8-naphthyridin-2-yl)benzoic acid (CID 2761117) is 2-(1,8-naphthyridin-2-yl)benzoic acid.
What is the SMILES notation for 2-(1,8-naphthyridin-2-yl)benzoic acid?
The canonical SMILES for 2-(1,8-naphthyridin-2-yl)benzoic acid is O=C(O)c1ccccc1-c1ccc2cccnc2n1.
What is the InChIKey of 2-(1,8-naphthyridin-2-yl)benzoic acid?
The InChIKey is GESFCCAHDCEFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19).
What are the key properties of 2-(1,8-naphthyridin-2-yl)benzoic acid?
2-(1,8-naphthyridin-2-yl)benzoic acid has a molecular weight of 250.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-naphthyridin-2-yl)benzoic acid is sourced from PubChem (CID 2761117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).