4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid

C17H14N2O2 — CID 53237026

IUPAC4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid
SMILESCCc1nc(-c2ccc(C(=O)O)cc2)cc2cccnc12
InChIInChI=1S/C17H14N2O2/c1-2-14-16-13(4-3-9-18-16)10-15(19-14)11-5-7-12(8-6-11)17(20)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyLMDKOPOWHHMATB-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.56
Rot. Bonds3

About 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid

4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid (PubChem CID 53237026) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid.

Molecular Properties

Compound Name4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid
PubChem CID53237026
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid
SMILESCCc1nc(-c2ccc(C(=O)O)cc2)cc2cccnc12
InChIInChI=1S/C17H14N2O2/c1-2-14-16-13(4-3-9-18-16)10-15(19-14)11-5-7-12(8-6-11)17(20)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyLMDKOPOWHHMATB-UHFFFAOYSA-N
XLogP3.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid?
The IUPAC name of 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid (CID 53237026) is 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid.
What is the SMILES notation for 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid?
The canonical SMILES for 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid is CCc1nc(-c2ccc(C(=O)O)cc2)cc2cccnc12.
What is the InChIKey of 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid?
The InChIKey is LMDKOPOWHHMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-14-16-13(4-3-9-18-16)10-15(19-14)11-5-7-12(8-6-11)17(20)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid?
4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethyl-1,7-naphthyridin-6-yl)benzoic acid is sourced from PubChem (CID 53237026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).