5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid

C22H12F6N4O2 — CID 58645766

IUPAC5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C22H12F6N4O2/c23-21(24,25)12-1-3-13(4-2-12)31-16-7-8-29-19-14(16)5-6-17(32-19)18-15(22(26,27)28)9-11(10-30-18)20(33)34/h1-10H,(H,33,34)(H,29,31,32)
InChIKeyZOJGTRRGPUYRHP-UHFFFAOYSA-N
MW478.35 g/mol
LogP6.17
Rot. Bonds4

About 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid

5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid (PubChem CID 58645766) has the molecular formula C22H12F6N4O2 and a molecular weight of 478.35 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
PubChem CID58645766
Molecular FormulaC22H12F6N4O2
Molecular Weight478.35 g/mol
Exact Mass478.09
IUPAC Name5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3n2)c(C(F)(F)F)c1
InChIInChI=1S/C22H12F6N4O2/c23-21(24,25)12-1-3-13(4-2-12)31-16-7-8-29-19-14(16)5-6-17(32-19)18-15(22(26,27)28)9-11(10-30-18)20(33)34/h1-10H,(H,33,34)(H,29,31,32)
InChIKeyZOJGTRRGPUYRHP-UHFFFAOYSA-N
XLogP6.17
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 143215454
N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide
CID 58645777
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
5-[4-(trifluoromethyl)anilino]-2-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-7-carboxylic acid
CID 58628195
3-pyrimidin-2-yl-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 138681877
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one
CID 59762761
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
7-(4-chloro-1,2,5-thiadiazol-3-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 59705056
(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate
CID 87303226
ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile
CID 143215429
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid (CID 58645766) is 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3n2)c(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is ZOJGTRRGPUYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N4O2/c23-21(24,25)12-1-3-13(4-2-12)31-16-7-8-29-19-14(16)5-6-17(32-19)18-15(22(26,27)28)9-11(10-30-18)20(33)34/h1-10H,(H,33,34)(H,29,31,32).
What are the key properties of 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid?
5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 478.35 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58645766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).