6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid

C23H14F6N4O2 — CID 58645492

IUPAC6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)O)ccc3C(F)(F)F)nc2n1
InChIInChI=1S/C23H14F6N4O2/c1-11-10-18(31-13-4-2-12(3-5-13)22(24,25)26)14-6-8-16(33-20(14)30-11)19-15(23(27,28)29)7-9-17(32-19)21(34)35/h2-10H,1H3,(H,34,35)(H,30,31,33)
InChIKeyXEKLEVAXNREYAL-UHFFFAOYSA-N
MW492.38 g/mol
LogP6.48
Rot. Bonds4

About 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid

6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 58645492) has the molecular formula C23H14F6N4O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID58645492
Molecular FormulaC23H14F6N4O2
Molecular Weight492.38 g/mol
Exact Mass492.10
IUPAC Name6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)O)ccc3C(F)(F)F)nc2n1
InChIInChI=1S/C23H14F6N4O2/c1-11-10-18(31-13-4-2-12(3-5-13)22(24,25)26)14-6-8-16(33-20(14)30-11)19-15(23(27,28)29)7-9-17(32-19)21(34)35/h2-10H,1H3,(H,34,35)(H,30,31,33)
InChIKeyXEKLEVAXNREYAL-UHFFFAOYSA-N
XLogP6.48
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.38
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 58645492) is 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)O)ccc3C(F)(F)F)nc2n1.
What is the InChIKey of 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is XEKLEVAXNREYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N4O2/c1-11-10-18(31-13-4-2-12(3-5-13)22(24,25)26)14-6-8-16(33-20(14)30-11)19-15(23(27,28)29)7-9-17(32-19)21(34)35/h2-10H,1H3,(H,34,35)(H,30,31,33).
What are the key properties of 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 492.38 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 58645492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).