5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid

C21H11F6N5O2 — CID 58645518

IUPAC5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C21H11F6N5O2/c22-20(23,24)10-1-6-16(29-9-10)30-13-7-8-28-18-11(13)2-4-14(32-18)17-12(21(25,26)27)3-5-15(31-17)19(33)34/h1-9H,(H,33,34)(H,28,29,30,32)
InChIKeyTUSZMOIQYHEVFQ-UHFFFAOYSA-N
MW479.34 g/mol
LogP5.57
Rot. Bonds4

About 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid

5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid (PubChem CID 58645518) has the molecular formula C21H11F6N5O2 and a molecular weight of 479.34 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
PubChem CID58645518
Molecular FormulaC21H11F6N5O2
Molecular Weight479.34 g/mol
Exact Mass479.08
IUPAC Name5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C21H11F6N5O2/c22-20(23,24)10-1-6-16(29-9-10)30-13-7-8-28-18-11(13)2-4-14(32-18)17-12(21(25,26)27)3-5-15(31-17)19(33)34/h1-9H,(H,33,34)(H,28,29,30,32)
InChIKeyTUSZMOIQYHEVFQ-UHFFFAOYSA-N
XLogP5.57
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.34
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid (CID 58645518) is 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1.
What is the InChIKey of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is TUSZMOIQYHEVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N5O2/c22-20(23,24)10-1-6-16(29-9-10)30-13-7-8-28-18-11(13)2-4-14(32-18)17-12(21(25,26)27)3-5-15(31-17)19(33)34/h1-9H,(H,33,34)(H,28,29,30,32).
What are the key properties of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 479.34 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58645518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).