5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid

C11H4F6N2O2 — CID 66545152

IUPAC5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H4F6N2O2/c12-10(13,14)5-3-7(11(15,16)17)19-8-4(5)1-2-6(18-8)9(20)21/h1-3H,(H,20,21)
InChIKeyDRAUWGYAQKRJFV-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.37
Rot. Bonds1

About 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid

5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid (PubChem CID 66545152) has the molecular formula C11H4F6N2O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
PubChem CID66545152
Molecular FormulaC11H4F6N2O2
Molecular Weight310.15 g/mol
Exact Mass310.02
IUPAC Name5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H4F6N2O2/c12-10(13,14)5-3-7(11(15,16)17)19-8-4(5)1-2-6(18-8)9(20)21/h1-3H,(H,20,21)
InChIKeyDRAUWGYAQKRJFV-UHFFFAOYSA-N
XLogP3.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid (CID 66545152) is 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid is O=C(O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1.
What is the InChIKey of 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is DRAUWGYAQKRJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F6N2O2/c12-10(13,14)5-3-7(11(15,16)17)19-8-4(5)1-2-6(18-8)9(20)21/h1-3H,(H,20,21).
What are the key properties of 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid?
5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 310.15 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 66545152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).