5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid

C66H40F20N6O14 — CID 158989560

IUPAC5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
SMILESCOc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1.O=C(O)c1ccc(NC(=O)c2c(Oc3ccc(CO)cc3)cc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C22H13F7N2O5.C22H13F7N2O4.C22H14F6N2O5/c1-35-16-8-11(23)2-5-15(16)36-17-7-10(21(24,25)26)6-13(22(27,28)29)18(17)19(32)31-12-3-4-14(20(33)34)30-9-12;1-10-6-12(23)2-5-16(10)35-17-8-11(21(24,25)26)7-14(22(27,28)29)18(17)19(32)31-13-3-4-15(20(33)34)30-9-13;23-21(24,25)12-7-15(22(26,27)28)18(17(8-12)35-14-4-1-11(10-31)2-5-14)19(32)30-13-3-6-16(20(33)34)29-9-13/h2-9H,1H3,(H,31,32)(H,33,34);2-9H,1H3,(H,31,32)(H,33,34);1-9,31H,10H2,(H,30,32)(H,33,34)
InChIKeyJPZLLGRETVEWMB-UHFFFAOYSA-N
MW1521.03 g/mol
LogP17.67
Rot. Bonds17

About 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid

5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid (PubChem CID 158989560) has the molecular formula C66H40F20N6O14 and a molecular weight of 1521.03 g/mol. Its IUPAC name is 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
PubChem CID158989560
Molecular FormulaC66H40F20N6O14
Molecular Weight1521.03 g/mol
Exact Mass1520.23
IUPAC Name5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
SMILESCOc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1.O=C(O)c1ccc(NC(=O)c2c(Oc3ccc(CO)cc3)cc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C22H13F7N2O5.C22H13F7N2O4.C22H14F6N2O5/c1-35-16-8-11(23)2-5-15(16)36-17-7-10(21(24,25)26)6-13(22(27,28)29)18(17)19(32)31-12-3-4-14(20(33)34)30-9-12;1-10-6-12(23)2-5-16(10)35-17-8-11(21(24,25)26)7-14(22(27,28)29)18(17)19(32)31-13-3-4-15(20(33)34)30-9-13;23-21(24,25)12-7-15(22(26,27)28)18(17(8-12)35-14-4-1-11(10-31)2-5-14)19(32)30-13-3-6-16(20(33)34)29-9-13/h2-9H,1H3,(H,31,32)(H,33,34);2-9H,1H3,(H,31,32)(H,33,34);1-9,31H,10H2,(H,30,32)(H,33,34)
InChIKeyJPZLLGRETVEWMB-UHFFFAOYSA-N
XLogP17.67
TPSA295.02 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001521.03
LogP ≤ 517.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[[(3S,8S)-3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-7-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
CID 58327343
(2S)-2-[[(3S,8S)-3-[4-[(3,5-difluorophenyl)methoxy]phenyl]-7-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
CID 58327571
5-[[4-Tert-butyl-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845220
5-[[2-(4-Fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845370
5-[[2-(2-Methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845371
5-[[2-(4-Fluorophenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845373
5-[[2-(4-Fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845442
5-[[2-(5-Fluoro-2-methoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845445
5-[[2-[2-(Difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845446
5-[[2-(2-Methoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845447
5-[[2-(2-Propan-2-yloxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845522
5-(2-(4-Fluorophenoxy)-4-(perfluoroethyl)benzamido)picolinic acid
CID 77845610

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid (CID 158989560) is 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid is COc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1.Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1.O=C(O)c1ccc(NC(=O)c2c(Oc3ccc(CO)cc3)cc(C(F)(F)F)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JPZLLGRETVEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F7N2O5.C22H13F7N2O4.C22H14F6N2O5/c1-35-16-8-11(23)2-5-15(16)36-17-7-10(21(24,25)26)6-13(22(27,28)29)18(17)19(32)31-12-3-4-14(20(33)34)30-9-12;1-10-6-12(23)2-5-16(10)35-17-8-11(21(24,25)26)7-14(22(27,28)29)18(17)19(32)31-13-3-4-15(20(33)34)30-9-13;23-21(24,25)12-7-15(22(26,27)28)18(17(8-12)35-14-4-1-11(10-31)2-5-14)19(32)30-13-3-6-16(20(33)34)29-9-13/h2-9H,1H3,(H,31,32)(H,33,34);2-9H,1H3,(H,31,32)(H,33,34);1-9,31H,10H2,(H,30,32)(H,33,34).
What are the key properties of 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid?
5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 1521.03 g/mol, XLogP of 17.67, 17 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-(4-fluoro-2-methylphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid;5-[[2-[4-(hydroxymethyl)phenoxy]-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 158989560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).